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The Method of Configuration Interaction

  • Chapter
Methods of Electronic Structure Theory

Part of the book series: Modern Theoretical Chemistry ((MTC,volume 3))

Abstract

As the scope of quantum chemistry broadened from the consideration of stable molecules near equilibrium to encompass potential curves and surfaces, transition states, radicals, ions, and excited states, the shortcomings of the Hartree— Fock (HF) approximation for the description of the electronic structure of molecular systems became increasingly evident. The energy error of the restricted HF wave function, i.e., the difference between the HF limit energy (which is the limit approached by restricted self-consistent field calculations as the basis set approaches completeness) and the exact solution of the nonrelativistic Schrodinger equation, has been termed the correlation energy.(1) It reflects the fact that the HF Hamiltonian contains the average, rather than instantaneous, interelectron potential, and thus neglects the correlation between the motions of the electrons.

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References

  1. P.-O. Löwdin, Adv. Chem. Phys. 2, 207 (1959).

    Google Scholar 

  2. H. F. Schaefer III, The Electronic Structure of Atoms and Molecules. A Survey of Rigorous Quantum Mechanical Results, Addison-Wesley, Reading, Massachusetts (1972).

    Google Scholar 

  3. J. C. Slater, Phys. Rev. 35, 509 (1930).

    CAS  Google Scholar 

  4. O. Sinanoglu, Proc. Nat. Acad. Sci. USA 47, 1217 (1961).

    CAS  Google Scholar 

  5. H. J. Silverstone and O. Sinanoglu, J. Chem. Phys. 44, 1899 (1966).

    CAS  Google Scholar 

  6. C. Hollister and O. Sinanoglu, J. Am. Chem. Soc. 88, 13 (1966).

    CAS  Google Scholar 

  7. A. Pipano, R. R. Gilman, and I. Shavitt, Chem. Phys. Lett. 5, 285 (1970).

    CAS  Google Scholar 

  8. R. P. Hosteny, T. H. Dunning, Jr., R. R. Gilman, A. Pipano, and I. Shavitt, J. Chem. Phys. 62, 4764 (1975).

    CAS  Google Scholar 

  9. W. Ritz, J. Reine Angew. Math. 135, 1 (1909).

    Google Scholar 

  10. E. A. Hylleraas, Z. Phys. 48, 469 (1928).

    CAS  Google Scholar 

  11. S. Weinbaum, J. Chem. Phys. 1, 593 (1933).

    CAS  Google Scholar 

  12. H. M. James and A. S. Coolidge, J. Chem. Phys. 1, 825 (1933).

    CAS  Google Scholar 

  13. R. G. Parr, D. P. Craig, and I. G. Ross, J. Chem. Phys. 18, 1561 (1950).

    CAS  Google Scholar 

  14. M. J. M. Bernal and S. F. Boys, Philos. Trans. R. Soc. London, Ser. A 245, 139 (1952).

    Google Scholar 

  15. S. F. Boys, Proc. R. Soc. London, Ser. A 217, 136 (1953).

    CAS  Google Scholar 

  16. S. F. Boys, Proc. R. Soc. London, Ser. A 217, 235 (1953).

    CAS  Google Scholar 

  17. D. Kastler, J. Chim. Phys. 50, 556 (1953).

    CAS  Google Scholar 

  18. A. Meckler, J. Chem. Phys. 21, 1750 (1953).

    CAS  Google Scholar 

  19. S. F. Boys and V. E. Price, Philos. Trans. R. Soc. London, Ser. A 246, 451 (1954).

    Google Scholar 

  20. S. F. Boys, G. B. Cook, C. M. Reeves, and I. Shavitt, Nature 178, 1207 (1956).

    Google Scholar 

  21. E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra, Cambridge U.P., London (1935).

    Google Scholar 

  22. R. S. Mulliken, Chem. Phys. Lett. 25, 305 (1974).

    CAS  Google Scholar 

  23. R. Courant and D. Hilbert, Methods of Mathematical Physics, Vol. 1, Interscience, New York (1953).

    Google Scholar 

  24. E. A. Hylleraas, Mathematical and Theoretical Physics, Vol. 1, Wiley-Interscience, New York (1970).

    Google Scholar 

  25. S. T. Epstein, The Variation Method in Quantum Chemistry, Academic Press, New York (1974).

    Google Scholar 

  26. L. Pauling and E. B. Wilson, Introduction to Quantum Mechanics, McGraw-Hill, New York (1935).

    Google Scholar 

  27. E. C. Kemble, The Fundamental Principles of Quantum Mechanics, McGraw-Hill, New York (1937).

    Google Scholar 

  28. A. Messiah, Quantum Mechanics, Vol. II, North-Holland, Amsterdam (1964).

    Google Scholar 

  29. J. C. Slater, Quantum Theory of Matter, 2nd ed., McGraw-Hill, New York (1968).

    Google Scholar 

  30. C. Eckart, Phys. Rev. 36, 878 (1930).

    CAS  Google Scholar 

  31. J. L. Powell and B. Crasemann, Quantum Mechanics, Addison-Wesley, Reading, Massachusetts (1961).

    Google Scholar 

  32. E. A. Hylleraas and B. Undheim, Z. Phys. 65, 759 (1930).

    CAS  Google Scholar 

  33. J. K. L. MacDonald, Phys. Rev. 43, 830 (1933).

    Google Scholar 

  34. H. Shull and P.-O. Löwdin, Phys. Rev. 110, 1466 (1958).

    CAS  Google Scholar 

  35. H. F. Weinberger, J. Res. Nat. Bur. Stand., Sect. B 64, 217 (1960).

    Google Scholar 

  36. J. Hinze and C. C. J. Roothaan, Prog. Theor. Phys. (Kyoto), Suppl. No. 40, 37 (1967).

    Google Scholar 

  37. I. Shavitt, J. Comput. Phys. 6, 124 (1970).

    Google Scholar 

  38. D. B. Neumann, H. Basch, R. L. Kornegay, L. C. Snyder, J. W. Moskowitz, C. Hornback, and S. P. Liebmann, POLYATOM (Version 2), Program 199, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1971).

    Google Scholar 

  39. M. Yoshimine, J. Comput. Phys. 11, 449 (1973).

    Google Scholar 

  40. A. D. McLean, in : Proceedings of the Conference on Potential Energy Surfaces in Chemistry (W. A. Lester, ed.), p. 87, Report RA 18, IBM Research Laboratory, San Jose, California (January, 1971).

    Google Scholar 

  41. P. S. Bagus, B. Liu, A. D. McLean, and M. Yoshimine, in : Energy, Structure, and Reactivity (D. W. Smith and W. B. McRae, eds.), p. 130, Wiley, New York (1973).

    Google Scholar 

  42. P.-O. Löwdin, Adv. Quantum Chem. 5, 185 (1970).

    Google Scholar 

  43. E. R. Davidson, J. Chem. Phys. 62, 400 (1975).

    CAS  Google Scholar 

  44. N. W. Winter, W. C. Ermler, and R. M. Pitzer, Chem. Phys. Lett. 19, 179 (1973).

    CAS  Google Scholar 

  45. P.-O. Löwdin, J. Chem. Phys. 18, 365 (1950).

    Google Scholar 

  46. C. F. Bender, J. Comput. Phys. 9, 547 (1972).

    Google Scholar 

  47. K. C. Tang and C. Edmiston, J. Chem. Phys. 52, 997 (1970).

    CAS  Google Scholar 

  48. G. H. F. Diercksen, Theor. Chim. Acta 33, 1 (1974).

    CAS  Google Scholar 

  49. P. Pendergast and W. H. Fink, J. Comput. Phys. 14, 286 (1974).

    Google Scholar 

  50. R. K. Nesbet, Rev. Mod. Phys. 35, 552 (1963).

    CAS  Google Scholar 

  51. S. T. Elbert, Ph.D. thesis, University of Washington, Seattle (1973).

    Google Scholar 

  52. R. M. Stevens, private communication.

    Google Scholar 

  53. R. M. Stevens, J. Chem. Phys. 61, 2086 (1974).

    CAS  Google Scholar 

  54. R. M. Pitzer, J. Chem. Phys. 58, 3111 (1973).

    Google Scholar 

  55. R. M. Pitzer, J. Chem. Phys. 59, 3308 (1973).

    CAS  Google Scholar 

  56. W. C. Ermler and C. W. Kern, J. Chem. Phys. 58, 3458 (1973).

    CAS  Google Scholar 

  57. J. C. Slater, Phys. Rev. 34, 1293 (1929).

    CAS  Google Scholar 

  58. A. Bunge, J. Chem. Phys. 53, 20 (1970).

    CAS  Google Scholar 

  59. A. D. McLean and B. Liu, J. Chem. Phys. 58, 1066 (1973).

    CAS  Google Scholar 

  60. P.-O. Löwdin, in : Calcul des Fonctions d’Onde Moléculaire (Colloques Internationaux du Centre National de la Recherche Scientifique, No. 82), p. 23, CNRS, Paris (1958).

    Google Scholar 

  61. M. Kotani, K. Ohno, and K. Kayama, in: Encylopedia of Physics (S. Flügge, ed.), Vol. 37/2, p. 1, Springer, Berlin (1961).

    Google Scholar 

  62. M. Kotani, A. Amemiya, E. Ishiguro, and T. Kimura, Tables of Molecular Integrals, 2nd ed., Maruzen, Tokyo (1963).

    Google Scholar 

  63. F. A. Matsen, Adv. Quantum Chem. 1, 59 (1964).

    CAS  Google Scholar 

  64. R. Pauncz, Alternant Molecular Orbital Method, Saunders, Philadelphia (1967).

    Google Scholar 

  65. F. E. Harris, Adv. Quantum Chem. 3, 61 (1967).

    CAS  Google Scholar 

  66. F. E. Harris, in : Energy, Structure, and Reactivity (D. W. Smith and W. B. McRae, eds.), p. 112, Wiley, New York (1973).

    Google Scholar 

  67. P.-O. Löwdin and O. Goscinski, Int. J. Quantum Chem., Symp. No. 3, 533 (1970).

    Google Scholar 

  68. J. I. Musher, J. Phys. (Paris) 31, Suppl. C4, 51 (1970).

    Google Scholar 

  69. K. Ruedenberg and R. D. Poshusta, Adv. Quantum Chem. 6, 267 (1972).

    CAS  Google Scholar 

  70. W. I. Salmon, Adv. Quantum Chem. 8, 37 (1974).

    Google Scholar 

  71. P.-O. Löwdin, Phys. Rev. 97, 1509 (1955).

    Google Scholar 

  72. V. H. Smith, Jr. and F. E. Harris, J. Math. Phys. 10, 771 (1969).

    Google Scholar 

  73. R. Manne, Theor. Chim. Acta 6, 116 (1966).

    CAS  Google Scholar 

  74. H. Weyl, Gruppentheorie und Quantenmechanik, Hirzel, Leipzig, Germany (1928) [English translation, The Theory of Groups and Quantum Mechanics, Methuen, London (1931), reprinted by Dover, New York].

    Google Scholar 

  75. E. Wigner, Z. Phys. 40, 492 (1927).

    Google Scholar 

  76. E. Wigner, Z. Phys. 40, 883 (1927).

    Google Scholar 

  77. E. Wigner, Gruppentheorie und ihre Anwendung auf die Quantenmechanik derAtomspektren, Vieweg, Braunschweig, Germany (1931) [English translation, Group Theory and Its Application to the Quantum Mechanics of Atomic Spectra, Academic Press, New York (1959)].

    Google Scholar 

  78. P. A. M. Dirac, Proc. R. Soc. London, Ser. A 123, 714 (1929).

    CAS  Google Scholar 

  79. I. Waller and D. R. Hartree, Proc. R. Soc. London, Ser. A 124, 119 (1929).

    CAS  Google Scholar 

  80. R. Serber, J. Chem. Phys. 2, 697 (1934).

    CAS  Google Scholar 

  81. T. Yamanouchi, Proc. Phys.-Math. Soc. Jpn. 17, 274 (1935).

    CAS  Google Scholar 

  82. T. Yamanouchi, Proc. Phys.-Math. Soc. Jpn. 19, 436 (1937).

    Google Scholar 

  83. H. V. McIntosh, J. Math. Phys. 1, 453 (1960).

    Google Scholar 

  84. W. A. Goddard III, Phys. Rev. 157, 73 (1967).

    CAS  Google Scholar 

  85. W. A. Goddard III, Int. J. Quantum Chem., Symp. No. 3, 593 (1970).

    Google Scholar 

  86. R. D. Poshusta and R. W. Kramling, Phys. Rev. 167, 139 (1968).

    CAS  Google Scholar 

  87. J. Gerratt and W. N. Lipscomb, Proc. Nat. Acad. Sci. USA 59, 332 (1968).

    CAS  Google Scholar 

  88. J. J. Sullivan, J. Math. Phys. 9, 1369 (1968).

    Google Scholar 

  89. G. Heldmann, Int. J. Quantum Chem. 2, 785 (1968).

    CAS  Google Scholar 

  90. G. Heldmann and P. Schnupp, J. Comput. Phys. 3, 208 (1968).

    Google Scholar 

  91. J. I. Musher and R. Silbey, Phys. Rev. 174, 94 (1968).

    CAS  Google Scholar 

  92. G. A. Gallup, J. Chem. Phys. 48, 1752 (1968).

    CAS  Google Scholar 

  93. G. A. Gallup, J. Chem. Phys. 50, 1206 (1969).

    CAS  Google Scholar 

  94. D. J. Klein, J. Chem. Phys. 50, 5140 (1969).

    CAS  Google Scholar 

  95. F. A. Matsen, J. Am. Chem. Soc. 92, 3525 (1970).

    CAS  Google Scholar 

  96. I. G. Kaplan and O. B. Rodimova, Int. J. Quantum Chem. 7, 1203 (1973).

    CAS  Google Scholar 

  97. T. K. Lim, Int. J. Quantum Chem. 8, 523 (1974).

    CAS  Google Scholar 

  98. M. Moshinsky, Group Theory and the Many-Body Problem, Gordon and Breach, New York (1968).

    Google Scholar 

  99. I. L. Gel’fand and M. L. Tsetlin, Dokl. Akad. Nauk SSSR 71, 825 (1950).

    Google Scholar 

  100. I. L. Gel’fand and M. L. Tsetlin, Dokl. Akad. Nauk SSSR 71, 1017 (1950).

    Google Scholar 

  101. J. Patera, J. Chem. Phys. 56, 1400 (1972).

    CAS  Google Scholar 

  102. W. G. Harter, Phys. Rev. A 8, 2819 (1973).

    CAS  Google Scholar 

  103. W. G. Harter and C. W. Patterson, Phys. Rev. A 13, 1067 (1976).

    Google Scholar 

  104. W. G. Harter and C. W. Patterson, Phys. Rev. A, in press.

    Google Scholar 

  105. F. A. Matsen, Int. J. Quantum Chem., Symp. No. 8, 379 (1974).

    CAS  Google Scholar 

  106. J. Paldus, J. Chem. Phys. 61, 5321 (1974).

    CAS  Google Scholar 

  107. J. Paldus, Int J. Quantum Chem., Symp. No. 9, 165 (1975).

    CAS  Google Scholar 

  108. J. Paldus, Theor. Chem. Adv. Perspec. 2, 131 (1976).

    CAS  Google Scholar 

  109. R. Pauncz, Chem. Phys. Lett. 31, 443 (1975).

    CAS  Google Scholar 

  110. F. A. Matsen, A. A. Cantu, and R. D. Poshusta, J. Phys. Chem. 70, 1558 (1966).

    CAS  Google Scholar 

  111. D. J. Klein and B. R. Junker, J. Chem. Phys. 54, 4290 (1971).

    CAS  Google Scholar 

  112. P. J. A. Ruttink, Theor. Chim. Acta 36, 289 (1975).

    CAS  Google Scholar 

  113. J. F. Gouyet, Phys. Rev. A 2, 139 (1970).

    Google Scholar 

  114. J. F. Gouyet, Phys. Rev. A 2 1286 (1970).

    Google Scholar 

  115. W. Heitler and G. Rumer, Z. Phys. 68, 12 (1931).

    CAS  Google Scholar 

  116. J. C. Slater, Phys. Rev. 38, 1109 (1931).

    CAS  Google Scholar 

  117. C. M. Reeves, Ph.D. thesis, University of Cambridge (1957).

    Google Scholar 

  118. C. M. Reeves, Commun. ACM 9, 276 (1966).

    Google Scholar 

  119. B. Sutcliffe, J. Chem. Phys. 45, 235 (1966).

    CAS  Google Scholar 

  120. I. L. Cooper and R. McWeeny, J. Chem. Phys. 45, 226, 3484 (1966).

    Google Scholar 

  121. K. Ruedenberg, Phys. Rev. Lett. 27, 1105 (1971).

    Google Scholar 

  122. W. I. Salmon and K. Ruedenberg, J. Chem. Phys. 57, 2776 (1972).

    CAS  Google Scholar 

  123. A. Pipano and I. Shavitt, unpublished work.

    Google Scholar 

  124. Z. Gershgorn and I. Shavitt, Int. J. Quantum Chem., Symp. No. 1, 403 (1967).

    Google Scholar 

  125. S. L. Altmann, in : Quantum Theory (D. R. Bates, ed.), Vol. II, p. 87, Academic Press, New York (1972).

    Google Scholar 

  126. M. A. Melvin, Rev. Mod. Phys. 28, 18 (1956).

    Google Scholar 

  127. P.-O. Löwdin, Rev. Mod. Phys. 39, 259 (1967).

    Google Scholar 

  128. J. Killingbeck, J. Math. Phys. 11, 2268 (1970).

    Google Scholar 

  129. A. Go lębiewski, Mol. Phys. 20, 481 (1971).

    Google Scholar 

  130. G. A. Gallup, Int. J. Quantum Chem. 8, 267 (1974).

    Google Scholar 

  131. R. McWeeny, Symmetry-An Introduction to Group Theory and Its Applications, Pergamon, London (1963).

    Google Scholar 

  132. R. L. Flurry, Jr., Theor. Chim. Acta 31, 221 (1973).

    CAS  Google Scholar 

  133. S. Flodmark, SYMPRO, Program 46, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1964).

    Google Scholar 

  134. S. Flodmark and E. Blokker, in : Group Theory and Its Applications (E. M. Loebl, ed.), Vol. II, Academic Press, New York (1971).

    Google Scholar 

  135. J. R. Gabriel, J. Comput. Phys. 2, 336 (1968).

    Google Scholar 

  136. R. Moccia, Theor. Chim. Acta 7, 85 (1967).

    CAS  Google Scholar 

  137. T. D. Bouman, A. L. H. Chung, and G. L. Goodman, in : Sigma Molecular Orbital Theory (O. Sinanoğlu and K. B. Wiberg, eds.), p. 333, Yale University Press, New Haven, Connecticut (1970).

    Google Scholar 

  138. A. L. H. Chung and G. L. Goodman, J. Chem. Phys. 56, 4125 (1972).

    CAS  Google Scholar 

  139. T. D. Bouman and G. L. Goodman, GPTHEORY, Program 214, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1972).

    Google Scholar 

  140. D. Létoquart, Int. J. Quantum Chem. 8, 627 (1974).

    Google Scholar 

  141. J. C. Hempel, J. C. Donini, B. R. Hellebone, and A. B. P. Lever, J. Am. Chem. Soc. 96, 1693 (1974).

    CAS  Google Scholar 

  142. J. R. Gabriel, J. Chem. Phys. 51, 3713 (1969).

    CAS  Google Scholar 

  143. B. G. Wybourne, Int. J. Quantum Chem. 7, 1117 (1973).

    CAS  Google Scholar 

  144. I. Sakata, J. Math. Phys. 15, 1702 (1974).

    Google Scholar 

  145. R. J. Buenker and S. D. Peyerimhoff, Theor. Chim. Acta 12,183 (1968).

    CAS  Google Scholar 

  146. H. F. Schaefer III and F. E. Harris, J. Comput. Phys. 3, 217 (1968).

    Google Scholar 

  147. H. F. Schaefer III, J. Comput. Phys. 6, 142 (1970).

    Google Scholar 

  148. G. Racah, in : Ergebnisse der exakten Naturwissenschaften (G. Höhler, ed.), Vol. 37, p. 28, Springer, Berlin (1965) [in English].

    Google Scholar 

  149. L. C. Biedenharn and H. Van Dam (eds.), Quantum Theory of Angular Momentum, Academic Press, New York (1965).

    Google Scholar 

  150. A. Rotenberg, J. Chem. Phys. 39, 512 (1963).

    CAS  Google Scholar 

  151. A. Rotenberg, PROP, Program 37, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1964).

    Google Scholar 

  152. P.-O. Löwdin, Rev. Mod. Phys. 36, 966 (1964).

    Google Scholar 

  153. C. F. Bunge and A. Bunge, J. Comput. Phys. 8, 409 (1971).

    CAS  Google Scholar 

  154. C. F. Bunge and A. Bunge, Int. J. Quantum Chem. 7, 927 (1973).

    CAS  Google Scholar 

  155. D. Munch and E. R. Davidson, J. Chem. Phys. 63, 980 (1975).

    CAS  Google Scholar 

  156. F. Sasaki, Int. J. Quantum Chem. 8, 605 (1974).

    Google Scholar 

  157. S. F. Boys and G. B. Cook, Rev. Mod. Phys. 32, 285 (1960).

    CAS  Google Scholar 

  158. R. P. Hosteny and S. A. Hagstrom, J. Chem. Phys. 58, 4396 (1973).

    CAS  Google Scholar 

  159. R. K. Nesbet, Ann. Phys. (N.Y.) 3, 397 (1958).

    Google Scholar 

  160. R. K. Nesbet, J. Math. Phys. 2, 701 (1961).

    Google Scholar 

  161. E. R. Davidson, Int. J. Quantum Chem. 8, 83 (1974).

    CAS  Google Scholar 

  162. F. E. Harris, J. Chem. Phys. 46, 2769 (1967).

    CAS  Google Scholar 

  163. F. E. Harris, J. Chem. Phys. 47, 1047 (1967).

    CAS  Google Scholar 

  164. J. E. Harriman, J. Chem. Phys. 40, 2827 (1964).

    CAS  Google Scholar 

  165. K. Mano, J. Math. Phys. 12, 2361 (1971).

    Google Scholar 

  166. R. C. Ladner and W. A. Goddard III, J. Chem. Phys. 51, 1073 (1969).

    CAS  Google Scholar 

  167. G. A. Gallup, J. Chem. Phys. 52, 893 (1970).

    CAS  Google Scholar 

  168. G. A. Gallup, Adv. Quantum Chem. 7, 113 (1973).

    CAS  Google Scholar 

  169. I. L. Cooper and J. I. Musher, J. Chem. Phys. 57, 1333 (1972).

    CAS  Google Scholar 

  170. I. L. Cooper and J. I. Musher, J. Chem. Phys. 59, 929 (1973).

    CAS  Google Scholar 

  171. T. E. H. Walker and J. I. Musher, Mol. Phys. 27, 1651 (1974).

    CAS  Google Scholar 

  172. J. F. Gouyet, J. Math. Phys. 13, 745 (1972).

    Google Scholar 

  173. J. F. Gouyet, R. Schranner, and T. H. Seligman, J. Phys. A 8, 285 (1975).

    Google Scholar 

  174. H. A. Kramers, Quantum Mechanics, North-Holland, Amsterdam (1958) [reprinted by Dover, New York (1964)].

    Google Scholar 

  175. H. C. Brinkman, Applications of Spinor Invariants in Atomic Physics, North-Holland, Amsterdam (1956).

    Google Scholar 

  176. W. I. Salmon, K. Ruedenberg, and L. M. Cheung, J. Chem. Phys. 57, 2787 (1972).

    CAS  Google Scholar 

  177. R. W. Wetmore and G. A. Segal, Chem. Phys. Lett. 36, 478 (1975).

    CAS  Google Scholar 

  178. L. Pauling, J. Chem. Phys. 1, 280 (1933).

    CAS  Google Scholar 

  179. A. D. McLachlan, J. Chem. Phys. 33, 663 (1960).

    CAS  Google Scholar 

  180. H. Shull, Int. J. Quantum Chem. 3, 523 (1969).

    CAS  Google Scholar 

  181. G. H. F. Diercksen and B. T. Sutcliffe, Theor. Chim. Acta 34, 105 (1974).

    CAS  Google Scholar 

  182. B. R. Gilson, PROJR, Program 218, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1972).

    Google Scholar 

  183. S. F. Boys, Proc. R. Soc. London, Ser. A 207, 181, 197 (1951).

    CAS  Google Scholar 

  184. S. F. Boys, Philos. Trans. R. Soc., Ser. A 245, 95 (1952).

    Google Scholar 

  185. M. J. M. Bernal and S. F. Boys, Philos. Trans R. Soc., Ser A 245, 116 (1952).

    Google Scholar 

  186. S. F. Boys and R. C. Sahni, Philos. Trans. R. Soc., Ser. A 246, 463 (1954).

    Google Scholar 

  187. L. W. Hunter, J. Chem. Phys. 60, 2670 (1974).

    CAS  Google Scholar 

  188. W. E. Donath, J. Chem. Phys. 35, 817 (1961).

    CAS  Google Scholar 

  189. F. Sasaki and M. Yoshimine, Phys. Rev. A 9, 17 (1974).

    CAS  Google Scholar 

  190. F. Sasaki and M. Yoshimine, Phys. Rev. A 9, 26 (1974).

    Google Scholar 

  191. A. Bunge and C. F. Bunge, Phys. Rev. A 1, 1599 (1970).

    Google Scholar 

  192. C. F. Bunge and E. M. A. Peixoto, Phys. Rev. A 1, 1277 (1970).

    Google Scholar 

  193. J. Simons and J. E. Harriman, J. Chem. Phys. 51, 296 (1969).

    CAS  Google Scholar 

  194. J. S. Griffiith, The Irreducible Tensor Method for Molecular Symmetry Groups, Prentice-Hall, Englewood Cliffs, New Jersey (1962).

    Google Scholar 

  195. C. Bottcher and J. C. Browne, J. Chem. Phys. 52, 3197 (1970).

    CAS  Google Scholar 

  196. R. S. Martin and J. H. Wilkinson, Numer. Math. 11, 99 (1968) [reprinted in Ref. 199, p. 303].

    Google Scholar 

  197. G. Peters and J. H. Wilkinson, SIAM J. Numer. Anal. 7, 479 (1970).

    Google Scholar 

  198. B. Ford and G. Hall, Comput. Phys. Commun. 8, 337 (1974).

    CAS  Google Scholar 

  199. J. H. Wilkinson and C. Reinsch, Linear Algebra (Vol. II of Handbook for Automatic Computation), Springer, New York (1971).

    Google Scholar 

  200. J. H. Wilkinson, The Algebraic Eigenvalue Problem, Oxford U.P., London (1965).

    Google Scholar 

  201. H. R. Schwarz, H. Rutishauser, and E. Stiefel, Numerical Analysis of Symmetric Matrices, Prentice-Hall, Englewood Cliffs, New Jersey (1973).

    Google Scholar 

  202. H. H. Goldstine, F. J. Murray, and J. von Neumann, J. Assoc. Comput. Mach. 6, 57 (1959).

    Google Scholar 

  203. F. J. Corbató, J. Assoc. Comput. Mach. 10, 123 (1963).

    Google Scholar 

  204. H. Rutishauser, Numer. Math. 9, 1 (1966) [reprinted in Ref. 199, p. 202].

    Google Scholar 

  205. W. E. Baylis, CEIGEN, Program 253, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1974).

    Google Scholar 

  206. C. Lanczos, J. Res. Nat. Bur. Stand. 45, 255 (1950).

    Google Scholar 

  207. W. Givens, in : Simultaneous Linear Equations and the Determination of Eigenvalues (L. J. Paige and O. Taussky, eds.), p. 117, Nat. Bur. Stand. Appl. Math. Series, No. 29, U.S. Govt. Printing Office, Washington, D.C. (1953).

    Google Scholar 

  208. W. Givens, Numerical Computation of the Characteristic Values of a Real Symmetric Matrix, Oak Ridge National Laboratory Report ORNL 1574 (March, 1954).

    Google Scholar 

  209. J. H. Wilkinson, Comput. J. 3, 23 (1960).

    Google Scholar 

  210. R. S. Martin, C. Reinsch, and J. H. Wilkinson, Numer. Math. 11, 181 (1968) [reprinted in Ref. 199, p. 212].

    Google Scholar 

  211. F. Prosser, GIVENS, Program 62.3, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1965).

    Google Scholar 

  212. B. S. Garbow, Comput. Phys. Commun. 7, 179 (1974).

    Google Scholar 

  213. J. M. Ortega, J. Assoc. Comput. Mach. 7, 260 (1960).

    Google Scholar 

  214. W. Barth, R. S. Martin, and J. H. Wilkinson, Numer. Math. 9, 386 (1967) [reprinted in Ref. 199, p. 249].

    Google Scholar 

  215. J. G. F. Francis, Comput. J. 4, 265 (1961).

    Google Scholar 

  216. J. G. F. Francis, Comput. J. 4, 332 (1962).

    Google Scholar 

  217. J. M. Ortega and H. F. Kaiser, Comput. J. 6, 99 (1963).

    Google Scholar 

  218. H. Bowdler, R. S. Martin, C. Reinsch, and J. H. Wilkinson, Numer. Math. 11, 293 (1968) [reprinted in Ref. 199, p. 227].

    Google Scholar 

  219. A. J. Fox and F. A. Johnson, Comput. J. 9, 98 (1966).

    Google Scholar 

  220. A. Dubrulle, R. S. Martin, and J. H. Wilkinson, Numer. Math. 12, 377 (1968) [reprinted in Ref. 199, p. 241].

    Google Scholar 

  221. C. Reinsch and F. L. Bauer, Numer. Math. 11, 264 (1968) [reprinted in Ref. 199, p. 257].

    Google Scholar 

  222. G. W. Stewart, Commun. ACM 13, 365, 369, 750 (1970).

    Google Scholar 

  223. J. H. Wilkinson, Comput. J. 1, 90 (1958).

    Google Scholar 

  224. G. Peters and J. H. Wilkinson, in Ref. 199, p. 418.

    Google Scholar 

  225. G. W. Stewart, in : Information Processing 74 (Proceedings of IFIP Congress 74, Stockholm), p. 666, North-Holland, Amsterdam (1974).

    Google Scholar 

  226. I. Shavitt, C. F. Bender, A. Pipano, and R. P. Hosteny, J. Comput. Phys. 11, 90 (1973).

    Google Scholar 

  227. S. Falk, Z. Angew. Math. Mech. 53, 73 (1973).

    Google Scholar 

  228. E. R. Davidson, J. Comput. Phys. 17, 87 (1975).

    Google Scholar 

  229. M. R. Hestenes and W. Karush, J. Res. Nat. Bur. Stand. 47, 45 (1951).

    Google Scholar 

  230. M. R. Hestenes and W. Karush, J. Res. Nat. Bur. Stand. 47, 471 (1951).

    Google Scholar 

  231. M. Clint and A. Jennings, Comput. J. 13, 76 (1970).

    Google Scholar 

  232. C. F. Bender, Ph.D. thesis, University of Washington, Seattle (1968).

    Google Scholar 

  233. D. K. Faddeev and V. N. Faddeeva, Computational Methods of Linear Algebra (English translation), Section 61, W. H. Freeman & Co., San Francisco (1963).

    Google Scholar 

  234. W. W. Bradbury and R. Fletcher, Numer. Math. 9, 259 (1966).

    Google Scholar 

  235. I. Fried, J. Sound Vibr. 20, 333 (1972).

    Google Scholar 

  236. A. Ruhe, in: Eigenwert Probleme (L. Collatz, ed.), p. 97, Birkhäuser, Basel (1974).

    Google Scholar 

  237. R. K. Nesbet, J. Chem. Phys. 43, 311 (1965).

    CAS  Google Scholar 

  238. H. H. Michels, NESBET, Program 93, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1966).

    Google Scholar 

  239. I. Shavitt, EIGEN, Program 172.1, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1970).

    Google Scholar 

  240. M. Raimondi and G. F. Tantardini, NESBET, Program 180, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana (1971).

    Google Scholar 

  241. H. R. Schwarz, Comput. Meth. Appl. Mech. Eng. 3, 11 (1974).

    Google Scholar 

  242. A. Ruhe, Math. Comput. 28, 695 (1974).

    Google Scholar 

  243. M. G. Feler, J. Comput. Phys. 14, 341 (1974).

    Google Scholar 

  244. R. S. Mulliken, J. Chem. Phys. 23, 1833 (1955);

    CAS  Google Scholar 

  245. E. R. Davidson, J. Chem. Phys. 46. 3320 (1967).

    CAS  Google Scholar 

  246. P.-O. Löwdin, Phys. Rev. 97, 1474 (1955).

    Google Scholar 

  247. P.-O. Löwdin, Phys. Rev. 97, 1490 (1955).

    Google Scholar 

  248. R. McWeeny, Proc. R. Soc. London, Ser. A 253, 242 (1959).

    CAS  Google Scholar 

  249. R. McWeeny, Rev. Mod. Phys. 32, 335 (1960).

    Google Scholar 

  250. R. McWeeny and Y. Mizuno, Proc. R. Soc. London, Ser. A 259, 554 (1961).

    CAS  Google Scholar 

  251. A. J. Coleman, Rev. Mod. Phys. 35, 668 (1963).

    Google Scholar 

  252. A. J. Coleman and R. M. Erdahl (eds.), Reduced Density Matrices with Applications to Physical and Chemical Systems, Queen’s Papers on Pure and Applied Mathematics, No. 11, Queen’s University, Kingston, Ontario (1968).

    Google Scholar 

  253. W. A. Bingel and W. Kutzelnigg, Adv. Quantum Chem. 5, 201 (1970).

    CAS  Google Scholar 

  254. E. R. Davidson, Reduced Density Matrices in Quantum Chemistry, Academic Press, New York (1976).

    Google Scholar 

  255. D. W. Smith, in Ref. 251, p. 169.

    Google Scholar 

  256. H. D. Cohen and C. C. J. Roothaan, J. Chem. Phys. 43, S34 (1965).

    Google Scholar 

  257. J. A. Pople, J. W. McIver, Jr., and N. S. Ostlund, J. Chem. Phys. 49, 2960 (1968).

    CAS  Google Scholar 

  258. B. J. Rosenberg and I. Shavitt, J. Chem. Phys. 63, 2162 (1975).

    CAS  Google Scholar 

  259. E. R. Davidson, in: The World of Quantum Chemistry (R. Daudel and B. Pullman, eds.), p. 17, Reidel, Dodrecht, Holland (1974).

    Google Scholar 

  260. K. Ruedenberg, R. C. Raffenetti, and R. D. Bardo, in : Energy , Structure, and Reactivity (D. W. Smith and W. B. McRae, eds.), p. 164, Wiley, New York (1973).

    Google Scholar 

  261. P. S. Bagus, B. Liu, A. D. McLean, and M. Yoshimine, in : Computational Methods for Large Molecules and Localized States in Solids (F. Herman, A. D. McLean, and R. K. Nesbet, eds.), p. 87, Plenum Press, New York (1973).

    Google Scholar 

  262. H. F. Schaefer III, R. A. Klemm, and F. E. Harris, Phys. Rev. 181, 137 (1969).

    CAS  Google Scholar 

  263. J. L. Whitten and M. Hackmeyer, J. Chem Phys. 51, 5584 (1969);

    CAS  Google Scholar 

  264. M. Hackmeyer and J. L. Whitten, J. Chem. Phys. 54, 3739 (1971).

    CAS  Google Scholar 

  265. S. Huzinaga and C. Arnau, Phys. Rev. A 1, 1285 (1970);

    Google Scholar 

  266. S. Huzinaga and C. Arnau, J. Chem Phys. 54, 1948 (1971).

    CAS  Google Scholar 

  267. E. R. Davidson, J. Chem. Phys. 57, 1999 (1972).

    CAS  Google Scholar 

  268. H. P. Kelly, Phys. Rev. 136, B896 (1964).

    CAS  Google Scholar 

  269. W. J. Hunt and W. A. Goddard III, Chem. Phys. Lett. 3, 414 (1969).

    CAS  Google Scholar 

  270. N. Björnå, J. Phys. B. 6, 1412 (1973).

    Google Scholar 

  271. L. R. Kahn, P. J. Hay, and I. Shavitt, J. Chem. Phys. 61, 3530 (1974).

    CAS  Google Scholar 

  272. C. F. Bender and E. R. Davidson, J. Chem. Phys. 47, 4972 (1967).

    CAS  Google Scholar 

  273. J. L. Whitten, J. Chem. Phys. 56, 5458 (1972).

    CAS  Google Scholar 

  274. J. M. Foster and S. F. Boys, Rev. Mod. Phys. 32, 300 (1960).

    CAS  Google Scholar 

  275. R. K. Nesbet, Adv. Chem. Phys. 9, 321 (1965).

    Google Scholar 

  276. E. Steiner, J. Chem. Phys. 54, 1114 (1971).

    CAS  Google Scholar 

  277. O. Sinanoglu and B. Skutnik, Chem. Phys. Lett. 1, 699 (1968).

    CAS  Google Scholar 

  278. R. K. Nesbet, Phys. Rev. 175, 2 (1968).

    CAS  Google Scholar 

  279. C. F. Bender and E. R. Davidson, in Ref. 251, p. 335.

    Google Scholar 

  280. T. L. Barr and E. R. Davidson, Phys. Rev. A 1, 644 (1970).

    CAS  Google Scholar 

  281. R. J. Buenker and S. D. Peserimhoff, J. Chem. Phys. 53, 1368 (1970);

    CAS  Google Scholar 

  282. S. Shih, R. J. Buenker, and S. D. Peyerimhoff, Chem. Phys. Lett. 16, 244 (1972).

    CAS  Google Scholar 

  283. E. R. Davidson, Rev. Mod. Phys. 44, 451 (1972).

    CAS  Google Scholar 

  284. P.-O. Löwdin and H. Shull, Phys. Rev. 101, 1730 (1956).

    Google Scholar 

  285. G. P. Barnett, J. Linderberg, and H. Shull, J. Chem. Phys. 43, S80 (1965).

    Google Scholar 

  286. H. F. Schaefer III, J. Chem. Phys. 54, 2207 (1971).

    CAS  Google Scholar 

  287. P. J. Hay, J. Chem. Phys. 59, 2468 (1973).

    CAS  Google Scholar 

  288. A. K. Q. Siu and E. F. Hayes, J. Chem. Phys. 61, 37 (1974).

    CAS  Google Scholar 

  289. C. F. Bender and E. R. Davidson, Phys. Rev. 183, 23 (1969).

    CAS  Google Scholar 

  290. I. Shavitt, B. J. Rosenberg, and S. Palalikit, Int. J. Quantum Chem., Symp. No. 10, 33 (1976).

    CAS  Google Scholar 

  291. C. F. Bender and E. R. Davidson, J. Phys. Chem. 70, 2675 (1966).

    CAS  Google Scholar 

  292. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 7, 759 (1973).

    CAS  Google Scholar 

  293. I. Shavitt, in : Energy, Structure, and Reactivity (D. W. Smith and W. B. McRae, eds.), p. 188, Wiley, New York (1973).

    Google Scholar 

  294. W. Kutzelnigg, J. Chem. Phys. 40, 3640 (1964).

    CAS  Google Scholar 

  295. E. R. Davidson, J. Chem. Phys. 48, 3169 (1968).

    Google Scholar 

  296. R. Albat, Z. Naturforsch. 27a, 545 (1972).

    Google Scholar 

  297. V. Kvasnička, Theor. Chim. Acta 36, 297 (1975).

    Google Scholar 

  298. Z. Gershgorn and I. Shavitt, Int. J. Quantum Chem. 2, 751 (1968).

    CAS  Google Scholar 

  299. C. Edmiston and M. Krauss, J. Chem. Phys. 45, 1833 (1966).

    CAS  Google Scholar 

  300. W. Meyer, J. Chem. Phys. 58, 1017 (1973).

    CAS  Google Scholar 

  301. R. Ahlrichs and F. Driessler, Theor. Chim. Acta 36, 275 (1975).

    CAS  Google Scholar 

  302. S. A. Houlden and I. G. Csizmadia, Theor. Chim. Acta 30, 209 (1973).

    CAS  Google Scholar 

  303. C. F. Bender, private communication.

    Google Scholar 

  304. C. F. Bender and E. R. Davidson, J. Chem. Phys. 49, 4222 (1968).

    CAS  Google Scholar 

  305. A. K. Q. Siu and E. R. Davidson, Int. J. Quantum Chem. 4, 223 (1970).

    CAS  Google Scholar 

  306. E. R. Davidson, in : Energy, Structure, and Reactivity (D. W. Smith and W. B. McRae, eds.), p. 179, Wiley, New York (1973).

    Google Scholar 

  307. A. C. Wahl, P. J. Bertoncini, G. Das, and T. L. Gilbert, Int. J. Quantum Chem., Symp. No. 1, 123 (1967).

    Google Scholar 

  308. P. J. Bertoncini, G. Das, and A. C. Wahl, J. Chem. Phys. 52, 5112 (1970).

    CAS  Google Scholar 

  309. N. Sabelli and J. Hinze, J. Chem. Phys. 50, 684 (1969).

    CAS  Google Scholar 

  310. J. Hinze, in: Energy, Structure, and Reactivity (D. W. Smith and W. B. McRae, eds.), p. 170, Wiley, New York (1973).

    Google Scholar 

  311. G. C. Lie, J. Hinze, and B. Liu, J. Chem. Phys. 59, 1872 (1973).

    CAS  Google Scholar 

  312. P. Dejardin, E. Kochanski, A. Veillard, B. Roos, and P. Siegbahn, J. Chem. Phys. 59, 5546 (1973).

    CAS  Google Scholar 

  313. S.-I. Chu, M. Yoshimine, and B. Liu, J. Chem. Phys. 61, 5389 (1974).

    CAS  Google Scholar 

  314. G. D. Gillespie, A. U. Khan, A. C. Wahl, R. P. Hosteny, and M. Krauss, J. Chem. Phys. 63, 3425 (1975).

    Google Scholar 

  315. B. Levy, Int. J. Quantum Chem. 4, 297 (1970).

    CAS  Google Scholar 

  316. H. Shull, J. Chem. Phys. 30, 1405 (1959).

    CAS  Google Scholar 

  317. G. Das and A. C. Wahl, J. Chem. Phys. 44, 87 (1966).

    CAS  Google Scholar 

  318. R. C. Raffenetti and L. R. Kahn, unpublished work.

    Google Scholar 

  319. R. C. Raffenetti, K. Hsu, and I. Shavitt, Theor. Chim. Acta (in press), and unpublished work.

    Google Scholar 

  320. J. J. C. Mulder, Mol. Phys. 10, 479 (1966).

    CAS  Google Scholar 

  321. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934).

    Google Scholar 

  322. L. Brillouin, Les Champs “Self-Consistent” de Hartree et de Fock (Actualités Sci. Ind. No. 159), Hermann & Cie., Paris (1934).

    Google Scholar 

  323. R. K. Nesbet, Proc. R. Soc. London, Ser. A 230, 312 (1955).

    CAS  Google Scholar 

  324. P. Claverie, S. Diner, and J. P. Malrieu, Int. J. Quantum Chem. 1, 751 (1967).

    CAS  Google Scholar 

  325. F. Grimaldi, A. Lecourt, and C. Moser, Int. J. Quantum Chem., Symp. No. 1, 153 (1967).

    Google Scholar 

  326. F. Coester and H. Kümmel, Nucl. Phys. 17, 477 (1960).

    CAS  Google Scholar 

  327. J. da Providência, Nucl. Phys. 61, 87 (1965).

    Google Scholar 

  328. J. Číek,J. Chem. Phys. 45, 4256 (1966).

    Google Scholar 

  329. J. Čížek, Adv. Chem. Phys. 14, 35 (1969).

    Google Scholar 

  330. J. Čížek and J. Paldus, Int. J. Quantum Chem. 5, 359 (1971).

    Google Scholar 

  331. O. Sinanoğlu, Adv. Chem. Phys. 6, 315 (1964).

    Google Scholar 

  332. O. Sinanoğlu, Adv. Chem. Phys. 14, 237 (1969).

    Google Scholar 

  333. R. K. Nesbet, Adv. Chem. Phys. 14, 1 (1969).

    CAS  Google Scholar 

  334. H. P. Kelly, Adv. Chem. Phys. 14, 129 (1969).

    CAS  Google Scholar 

  335. O. Sinanoğlu, J. Chem. Phys. 36, 706 (1962).

    Google Scholar 

  336. J. Paldus, J. Čížek, and I. Shavitt, Phys. Rev. A 5, 50 (1972).

    Google Scholar 

  337. R. Ahlrichs and W. Kutzelnigg, J. Chem. Phys. 48, 1819 (1968).

    CAS  Google Scholar 

  338. W. Meyer, Int. J. Quantum Chem., Symp. No. 5, 59 (1971).

    Google Scholar 

  339. R. Ahlrichs, H. Lischka, V. Staemmler, and W. Kutzelnigg, J. Chem. Phys. 62, 1225 (1975).

    CAS  Google Scholar 

  340. R. Ahlrichs, F. Driessler, H. Lischka, V. Staemmler, and W. Kutzelnigg, J. Chem. Phys. 62, 1235 (1975);

    CAS  Google Scholar 

  341. A. Pipano and I. Shavitt, Int. J. Quantum Chem. 2, 741 (1968).

    CAS  Google Scholar 

  342. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).

    CAS  Google Scholar 

  343. C. Bloch and J. Horowitz, Nucl. Phys. 8, 91 (1958).

    Google Scholar 

  344. B. H. Brandow, Rev. Mod. Phys. 39, 771 (1967).

    CAS  Google Scholar 

  345. U. Kaldor, Phys. Rev. Lett. 31, 1338 (1973).

    CAS  Google Scholar 

  346. I. Lindgren, J. Phys. B. 7, 2441 (1974).

    CAS  Google Scholar 

  347. S. D. Peyerimhoff and R. J. Buenker, J. Chem. Phys. 49, 2473 (1968).

    CAS  Google Scholar 

  348. T. H. Dunning, Jr., W. J. Hunt, and W. A. Goddard III, Chem. Phys. Lett. 4, 147 (1969).

    CAS  Google Scholar 

  349. S. D. Peyerimhoff and R. J. Buenker, Theor. Chim. Acta 19, 1 (1970).

    CAS  Google Scholar 

  350. R. J. Buenker and S. D. Peyerimhoff, Chem. Phys. 9, 75 (1975).

    CAS  Google Scholar 

  351. H. F. Schaefer III and C. F. Bender, J. Chem. Phys. 55, 1720 (1971).

    CAS  Google Scholar 

  352. K. Morokuma and H. Konishi, J. Chem. Phys. 55, 402 (1971).

    CAS  Google Scholar 

  353. C. F. Bender and E. R. Davidson, J. Chem. Phys. 46, 3313 (1967).

    CAS  Google Scholar 

  354. R. J. Buenker and S. D. Peyerimhoff, Thoer. Chim. Acta 35, 33 (1974).

    CAS  Google Scholar 

  355. P. K. Pearson, C. F. Bender, and H. F. Schaefer III, J. Chem. Phys. 55, 5235 (1971).

    CAS  Google Scholar 

  356. G. A. Segal and R. W. Wetmore, Chem. Phys. Lett. 32, 556 (1975).

    CAS  Google Scholar 

  357. S. Iwata and K. F. Freed, Chem. Phys. 11, 433 (1975).

    Google Scholar 

  358. P. J. Fortune and B. J. Rosenberg, Chem. Phys. Lett. 37, 110 (1976).

    CAS  Google Scholar 

  359. C. F. Bunge, Phys. Rev. 168, 92 (1968).

    CAS  Google Scholar 

  360. S. F. Boys and I. Shavitt, A Fundamental Calculation of the Energy Surface for the System of Three Hydrogen Atoms, University of Winsconsin Naval Research Laboratory Technical Report WIS-AF-13 (March 4, 1959).

    Google Scholar 

  361. R. E. Brown, Ph.D. thesis, Indiana University, Bloomington, Indiana (1967).

    Google Scholar 

  362. R. J. Buenker and S. D. Peyerimhoff, Theor. Chim. Acta 39, 217 (1975).

    CAS  Google Scholar 

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  1. Battelle Memorial Institute, Columbus, Ohio and Department of Chemistry, The Ohio State University, Columbus, Ohio, USA

    Isaiah Shavitt

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    Henry F. Schaefer III

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Shavitt, I. (1977). The Method of Configuration Interaction. In: Schaefer, H.F. (eds) Methods of Electronic Structure Theory. Modern Theoretical Chemistry, vol 3. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0887-5_6

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