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Electronic structure and dynamics of confined atoms

  • Regular Article - Atomic Physics
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Abstract

Confined atomic systems are of great importance owing a multitude of possible applications in various areas of science and technology. Of particular interest are atoms encaged in the \(\hbox {C}_{{60}}\) molecule, \(\hbox {A}@\hbox {C}_{{60}}\), since the near-spherical symmetry of \(\hbox {C}_{{60}}\) simplifies theoretical studies, and the stability of \(\hbox {C}_{{60}}\) renders it amenable to experimental examination. A review of investigations of the electronic structure and dynamics of \(\hbox {A}@\hbox {C}_{{60}}\) is presented in this manuscript focusing on developments in the last decade. Addressed mainly are how the confinement affects electronic structure properties such as ionization potentials, localization of atomic electrons, Shannon entropy, correlation effects, relativistic interactions, and others. In the area of dynamics, photoionization and e-\(\hbox {A}@\hbox {C}_{{60}}\) scattering are reviewed and summarized, and the major effects of confinement on the dynamical properties, e.g., confinement resonances, hybridization, Wigner time delay, are delineated.

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Data Availibility Statement

This manuscript has no associated data or the data will not be deposited. [Authors’ comment: This manuscript, being a review article, has no associated data.]

References

  1. H.W. Kroto, J.R. Heath, S.C. O’Brien, R.F. Curl, R.E. Smalley, \(\text{ C}_{{60}}\): Buckminster-fullerene. Nature 318, 162–3 (1985)

    Article  ADS  Google Scholar 

  2. T.-S. Wang, L. Feng, J.-Y. Wu, W. Xu, J.-F. Xiang, K. Tan, Y.-H. Ma, J.-P. Zheng, L. Jiang, X. Lu, C.-Y. Shu, C.-R. Wang, Planar quinary cluster inside a fullerene cage: synthesis structural characterizations of \(\text{ Sc}_{{\rm 3}}\text{ NC }@\text{ C}_{{\rm 80}}\text{-Ih }\). J. Am. Chem. Soc. 132, 16362–4 (2010)

    Google Scholar 

  3. N. Chen, M.N. Chaur, C. Moore, J.R. Pinzón, R. Valencia, A. Rodríguez-Fortea, J.M. Poblet, L. Echegoyen, Synthesis of a new endohedral fullerene family, \(\text{ Sc}_{2}\text{ S }@\text{ C}_{2n}\) (\(\text{ n }= 40-50\)) by the introduction of \(\text{ SO}_{{2}}\). Chem. Commun. 46, 4818–20 (2010)

    Google Scholar 

  4. M. Yamada, T. Akasaka, S. Nagase, Endohedral metal atoms in pristine and functionalized fullerene cages. Acc. Chem. Res. 43, 92–102 (2010)

    Google Scholar 

  5. K. Kurotobi, Y. Murata, A single molecule of water encapsulated in fullerene \(\text{ C}_{60}\). Science 333, 613–616 (2011)

    Google Scholar 

  6. S.C. Cho, T. Kaneko, H. Ishida, R. Hatakeyama, Highly efficient synthesis of nitrogen atom endohedral fullerene by controlling plasma ion behaviors. Appl. Phys. Express 5, 026202 (2012)

    ADS  Google Scholar 

  7. Y. Pan, X. Liu, W. Zhang, Z. Liu, G. Zeng, B. Shao, Q. Liang, Q. He, X. Yuan, D. Huang, M. Chen, Advances in photocatalysis based on fullerene \(\text{ C}_{{60}}\) its derivatives: Properties, mechanism, synthesis, applications. Appl. Catal. B Environ. 265, 118579 (2020)

    Google Scholar 

  8. W.L. Yang, Z.Y. Xu, H. Wei, M. Feng, D. Suter, Quantum-information-processing architecture with endohedral fullerenes in a carbon nanotube. Phys. Rev. A 81, 32303 (2010)

    ADS  Google Scholar 

  9. C. Ju, D. Suter, J. Du, An endohedral fullerene-based nuclear spin quantum computer. Phys. Lett. A 375, 1441–4 (2011)

    ADS  Google Scholar 

  10. J.P. Connerade, V.K. Dolmatov, ‘\(\text{ C}_{{60}}\) spin-charging’ with an eye on a quantum computer. J. Phys. B: At. Mol. Opt. Phys. 48, 15007 (2014)

    Google Scholar 

  11. J.-H. Liu, L. Cao, P.G. Luo, S.-T. Yang, F. Lu, H. Wang, M.J. Meziani, S.A. Haque, Y. Liu, S. Lacher, Y.-P. Sun, Fullerene-conjugated doxorubicin in cells. ACS Appl. Mater. Interfaces 2, 1384–9 (2010)

    Google Scholar 

  12. K. Minami, K. Okamoto, K. Doi, K. Harano, E. Noiri, E. Nakamura, siRNA delivery targeting to the lung via agglutination-induced accumulation and clearance of cationic tetraamino fullerene. Sci. Rep. 4, 4916 (2014)

    ADS  Google Scholar 

  13. G.J. Hedley, A.J. Ward, A. Alekseev, C.T. Howells, E.R. Martins, L.A. Serrano, G. Cooke, A. Ruseckas, I.D.W. Samuel, Determining the optimum morphology in high-performance polymer-fullerene organic photovoltaic cells. Nat. Commun. 4, 2867 (2013)

    ADS  Google Scholar 

  14. R.C. Masters, A.J. Pearson, T.S. Glen, F.-C. Sasam, L. Li, M. Dapor, A.M. Donald, D.G. Lidzey, C. Rodenburg, Sub-nanometre resolution imaging of polymer-fullerene photovoltaic blends using energy-filtered scanning electron microscopy. Nat. Commun. 6, 6928 (2015)

    ADS  Google Scholar 

  15. R.H. Zadik, Y. Takabayashi, G. Klupp, R.H. Colman, A.Y. Ganin, A. Potočnik, P. Jeglič, D. Arčon, P. Matus, K. Kamarás, Y. Kasahara, Y. Iwasa, A.N. Fitch, Y. Ohishi, G. Garbarino, K. Kato, M.J. Rosseinsky, K. Prassides, Optimized unconventional superconductivity in a molecular Jahn-Teller metal. Sci. Adv. 1, e1500059 (2015)

    ADS  Google Scholar 

  16. T.T. Vehviläinen, M.G. Ganchenkova, L.E. Oikkonen, R.M. Nieminen, Hydrogen interaction with fullerenes: From \(\text{ C}_{20}\) to graphene. Phys. Rev. B 84, 085447 (2011)

    Google Scholar 

  17. J.A. Teprovich, M.S. Wellons, R. Lascola, S.-J. Hwang, P.A. Ward, R.N. Compton, R. Zidan, Synthesis characterization of a lithium-doped fullerene (\(\text{ Li}_{\rm x}\text{-C }_{{60}}\text{-H }_{\rm y}\)) for reversible hydrogen storage. Nano Lett. 12, 582–9 (2012)

    Google Scholar 

  18. D.A. García-Hernández, A. Manchado, P. García-Lario, L. Stanghellini, E. Villaver, R.A. Shaw, R. Szczerba, J.V. Perea-Calderón, Formation of fullerenes in H-containing planetary nebulae. Astrophys. J. 724, L39–L43 (2010)

    ADS  Google Scholar 

  19. E.R. Micelotta, A.P. Jones, J. Cami, E. Peeters, J. Bernard-Salas, G. Fanchini, The formation of cosmic fullerenes from arophatic clusters. Astrophys. J. 761, 35 (2012)

    ADS  Google Scholar 

  20. P. Ehrenfreund, B. Foing, Fullerene solves an interstellar puzzle. Nature 523, 296–7 (2015)

    ADS  Google Scholar 

  21. M.E. Madjet, T. Renger, D.E. Hopper, M.A. McCune, H.S. Chakraborty, J.-M. Rost, S.T. Manson, Photoionization of Xe inside \(\text{ C}_{{60}}\): atom-fullerene hybridization, giant cross section enhancement, and correlation confinement resonances. Phys. Rev. A 81, 013202 (2010)

    Google Scholar 

  22. V.K. Dolmatov, M.Y. Amusia, L.V. Chernysheva, Electron elastic scattering off \(\text{ A }@\text{ C}_{{60}}\): the role of atomic polarization under confinement. Phys. Rev. A 92, 042709 (2015)

    Google Scholar 

  23. J. Choi, E. Chang, D.M. Anstine, M.E.-A. Madjet, H.S. Chakraborty, Effects of exchange-correlation potentials on the density-functional description of \(\text{ C}_{{60}}\) versus \(\text{ C}_{240}\) photoionization. Phys. Rev. A 95, 23404 (2017)

    Google Scholar 

  24. V.K. Dolmatov, M.Y. Amusia, L.V. Chernysheva, Effects of target polarization in electron elastic scattering off endohedral \(\text{ A }@\text{ C}_{{60}}\). Phys. Rev. A 95, 12709 (2017)

    Google Scholar 

  25. S. Saha, A. Thuppilakkadan, H.R. Varma, J. Jose, Photoionization dynamics of endohedrally confined atomic H and Ar: a contrasting study between compact versus diffused model potential. J. Phys. B: At. Mol. Opt. Phys. 52, 145001 (2019)

    ADS  Google Scholar 

  26. V.K. Dolmatov, A.S. Baltenkov, J.P. Connerade, S.T. Manson, Structure and photoionization of confined atoms. Radiat. Phys. Chem. 70, 417–433 (2004)

    ADS  Google Scholar 

  27. V.K. Dolmatov, Photoionization of atoms encaged in spherical fullerenes. Adv. Quantum Chem. 58, 13–68 (2009)

    Google Scholar 

  28. W. Jaskólski, Confined many-electron systems. Phys. Rep. 271, 1–66 (1996)

    ADS  Google Scholar 

  29. A.L. Buchachenko, Compressed atoms. J. Phys. Chem. B 105, 5839–5846 (2001)

    Google Scholar 

  30. J.R. Sabin, E. Brändas, S.A. Cruz, Advances in Quantum Chemistry: Theory of Confined Quantum Systems, Part 1, vol. 57 (Academic Press, New York, 2009)

    Google Scholar 

  31. J.R. Sabin, E. Brändas, S.A. Cruz, Advances in Quantum Chemistry: Theory of Confined Quantum Systems. Part 2, vol. 58 (Academic Press, New York, 2009)

    Google Scholar 

  32. K.D. Sen, Electronic Structure of Quantum Confined Atoms and Molecules (Springer, Berlin, 2014)

    MATH  Google Scholar 

  33. E. Ley-Koo, Recent progress in confined atoms and molecules: superintegrability and symmetry breakings. Rev. Mex. Fis. 64, 326–363 (2018)

    MathSciNet  Google Scholar 

  34. J.P. Connerade, Confining and compressing the atom. Eur. Phys. J. D 74, 211 (2020)

    ADS  Google Scholar 

  35. C.E. Shannon, A mathematical theory of communication. Bell Syst. Tech. J. 27, 379–423 (1948)

    MathSciNet  MATH  Google Scholar 

  36. R.J. Yáñez, J.C. Angulo, J.S. Dehesa, Information entropies of many-electron systems. Int. J. Quantum Chem. 56, 489–498 (1995)

    Google Scholar 

  37. N. Mukherjee, A. Roy, A.K. Roy, Information entropy as a measure of tunnelling and quantum confinement in a symmetric double-well potential. Ann. Phys. 527, 825–845 (2015)

    MATH  Google Scholar 

  38. V. Majerník, L. Richterek, Entropic uncertainty relations. Eur. J. Phys. 18, 79–89 (1997)

    MathSciNet  MATH  Google Scholar 

  39. J.P. Connerade, V.K. Dolmatov, S.T. Manson, On the nature and origin of confinement resonances. J. Phys. B: At. Mol. Opt. Phys. 33, 2279–2285 (2000)

    ADS  Google Scholar 

  40. M.J. Puska, R.M. Nieminen, Photoabsorption of atoms inside \(\text{ C}_{{60}}\). Phys. Rev. A. 47, 1181–1186 (1993)

    Google Scholar 

  41. A.S. Baltenkov, Resonances in photoionization cross sections of inner subshells of atoms inside the fullerene cage. J. Phys. B: At. Mol. Opt. Phys. 32, 2745 (1999)

    ADS  Google Scholar 

  42. M.Y. Amusia, L.V. Chernysheva, V.K. Dolmatov, Confinement and correlation effects in the \(\text{ Xe }@\text{ C}_{{60}}\) generalized oscillator strengths. Phys. Rev. A 84, 063201 (2011)

    Google Scholar 

  43. J.N. Maser, M.H. Javani, R. De, M.E. Madjet, H.S. Chakraborty, S.T. Manson, Atom-fullerene-hybrid photoionization mediated by coupled d states in \(\text{ Zn }@\text{ C}_{{60}}\). Phys. Rev. A 86, 053201 (2012)

    Google Scholar 

  44. T.W. Gorczyca, M.F. Hasoğlu, S.T. Manson, Photoionization of endohedral atoms using R-matrix methods: Application to \(\text{ Xe }@\text{ C}_{{60}}\). Phys. Rev. A. 86, 033204 (2012)

    Google Scholar 

  45. J. Jose, R.R. Lucchese, Study of resonances in the photoionization of \(\text{ Ar }@\text{ C}_{{60}}\) and \(\text{ C}_{{60}}\). J. Phys. B: At. Mol. Opt. Phys 46, 215103 (2013)

    Google Scholar 

  46. M.H. Javani, H.S. Chakraborty, S.T. Manson, Valence photoionization of noble-gas atoms confined in the fullerene \(\text{ C}_{{60}}\). Phys. Rev. A 89, 053402 (2014)

    Google Scholar 

  47. A. Ponzi, P. Decleva, S.T. Manson, Photoionization of endohedral atoms: molecular and interchannel-coupling effects. Phys. Rev. A 92, 023405 (2015)

    ADS  Google Scholar 

  48. A. Kumar, H.R. Varma, P.C. Deshmukh, S.T. Manson, V.K. Dolmatov, A. Kheifets, Wigner photoemission time delay from endohedral anions. Phys. Rev. A 94, 43401 (2016)

    ADS  Google Scholar 

  49. A.L.D. Kilcoyne, A. Aguilar, A. Müller, S. Schippers, C. Cisneros, G. Alna’Washi, N.B. Aryal, K.K. Baral, D.A. Esteves, C.M. Thomas, R.A. Phaneuf, Confinement resonances in photoionization of \(\text{ Xe }@\text{ C}_{60}^{{+}}\). Phys. Rev. Lett. 105, 213001 (2010)

    Google Scholar 

  50. R.A. Phaneuf, A.L.D. Kilcoyne, N.B. Aryal, K.K. Baral, D.A. Esteves-Macaluso, C.M. Thomas, J. Hellhund, R. Lomsadze, T.W. Gorczyca, C.P. Ballance, S.T. Manson, M.F. Hasoğlu, S. Schippers, A. Müller, Probing confinement resonances by photoionizing Xe inside a \(\text{ C}_{60}^{+}\) molecular cage. Phys. Rev. A 88, 053402 (2013)

    Google Scholar 

  51. A. Müller, M. Martins, A.L.D. Kilcoyne, R.A. Phaneuf, J. Hellhund, A. Borovik, K. Holste, S. Bari, T. Buhr, S. Klumpp, A. Perry-Sassmannshausen, S. Reinwardt, S. Ricz, K. Schubert, S. Schippers, Photoionization and photofragmentation of singly charged positive and negative \(\text{ Sc}_{{3}}\text{ N }@\text{ C}_{{80}}\) endohedral fullerene ions. Phys. Rev. A 99, 063401 (2019)

    Google Scholar 

  52. R. Obaid, H. Xiong, S. Augustin, K. Schnorr, U. Ablikim, A. Battistoni, T.J.A. Wolf, R.C. Bilodeau, T. Osipov, K. Gokhberg, D. Rolles, A.C. LaForge, N. Berrah, Intermolecular Coulombic decay in endohedral fullerene at the \(4\text{ d }\rightarrow 4\text{ f }\) resonance. Phys. Rev. Lett. 124, 113002 (2020)

    Google Scholar 

  53. V.K. Dolmatov, S.T. Manson, Correlation confinement resonances in photoionization of endohedral atoms: \(\text{ Xe }@\text{ C}_{{60}}\). J. Phys. B: At. Mol. Opt. Phys 41, 165001 (2008)

    Google Scholar 

  54. K. Govil, A.J. Siji, P.C. Deshmukh, Relativistic confinement effects in photoionization of Xe. J. Phys. B: At. Mol. Opt. Phys. 42, 065004 (2009)

    ADS  Google Scholar 

  55. K. Govil, P.C. Deshmukh, Quadrupole photoionization of endohedral \(\text{ Xe }@\text{ C}_{{60}}\). J. Phys. B: At. Mol. Opt. Phys. 42, 175003 (2009)

    Google Scholar 

  56. D.A. Keating, P.C. Deshmukh, S.T. Manson, Wigner time delay and spin-orbit activated confinement resonances. J. Phys. B: At. Mol. Opt. Phys. 50, 175001 (2017)

    ADS  Google Scholar 

  57. M.E. Madjet, H.S. Chakraborty, S.T. Manson, Giant enhancement in low energy photoemission of Ar confined in \(\text{ C}_{{60}}\). Phys. Rev. Lett. 99, 243003 (2007)

    Google Scholar 

  58. M.E. Madjet, H.S. Chakraborty, J.M. Rost, S.T. Manson, Photoionization of \(\text{ C}_{{60}}\): a model study. J. Phys. B: At. Mol. Opt. Phys. 41, 105101 (2008)

    Google Scholar 

  59. D. Shields, R. De, M.E. Madjet, S.T. Manson, H.S. Chakraborty, Photoemission from hybrid states of \(\text{ Cl }@\text{ C}_{{60}}\) before and after a stabilizing charge transfer. J. Phys. B: At. Mol. Opt. Phys. 53, 125101 (2020)

    Google Scholar 

  60. P.C. Deshmukh, A. Mal, S. Saha, A.S. Kheifets, V.K. Dolmatov, S.T. Manson, Atto-second time delay in the photoionization of endohedral atoms \(\text{ A }@\text{ C}_{{60}}\): a probe of confinement resonances. Phys. Rev. A 89, 053424 (2014)

    Google Scholar 

  61. A. Mandal, P.C. Deshmukh, A.S. Kheifets, V.K. Dolmatov, S.T. Manson, Angle resolved Wigner time delay in atomic photoionization: the 4d subshell of free and confined Xe. Phys. Rev. A 96, 53407 (2017)

    ADS  Google Scholar 

  62. P.V. Redkin, M.B. Danailov, R.A. Ganeev, Endohedral fullerenes: a way to control resonant high-order harmonic generation. Phys. Rev. A 84, 013407 (2011)

    ADS  Google Scholar 

  63. T. Topcu, E.A. Bleda, Z. Altun, Drastically enhanced high-order harmonic generation from endofullerenes. Phys. Rev. A 100, 063421 (2019)

    ADS  Google Scholar 

  64. S.Z. Rakhmanov, O.V. Karpova, F.S. Khashimova, BKh Eshchanov, High harmonic generation by an atom confined in nanoscale cavity. Nanosystems: Phys. Chem. Math. 11, 307–313 (2020)

    Google Scholar 

  65. J. Cioslowski, Electronic Structure Calculations on Fullerenes and Their Derivatives (Oxford University Press, New York, 1995)

    Google Scholar 

  66. J.L. Martins, N. Troullier, J.H. Weaver, Analysis of occupied and empty electronic states of \(\text{ C}_{{60}}\). Chem. Phys. Lett. 180, 457–460 (1991)

    Google Scholar 

  67. C. Winstead, V. McKoy, Elastic electron scattering by fullerene, \(\text{ C}_{{60}}\). Phys. Rev. A 73, 012711 (2006)

    Google Scholar 

  68. Y.B. Xu, M.Q. Tan, U. Becker, Oscillations in the photoionization cross section of \(\text{ C}_{{60}}\). Phys. Rev. Lett. 76, 3538–3541 (1996)

    Google Scholar 

  69. M.Y. Amusia, A.S. Baltenkov, B.G. Krakov, Photodetachment of negative \(\text{ C}_{60}^{-}\) ions. Phys. Lett. A 243, 99–105 (1998)

    Google Scholar 

  70. G. Wendin, B. Wästberg, Many-electron effects in \(\text{ BaC}_{{60}}\): collective response and molecular effects in optical conductivity and photoionization. Phys. Rev. B 48, 14764–14767 (1993)

    Google Scholar 

  71. O. Frank, J.-M. Rost, Diffraction effects in the photoionization of clusters. Chem. Phys. Lett. 271, 367–371 (1997)

    ADS  Google Scholar 

  72. V.K. Dolmatov, J.L. King, J.C. Oglesby, Diffuse versus square-well confining potentials in modelling \(\text{ A }@\text{ C}_{{60}}\) atoms. J. Phys. B: At. Mol. Opt. Phys. 45, 105102 (2012)

    Google Scholar 

  73. A.B. Patel, H.S. Chakraborty, Fourier photospectroscopy of \(\text{ Xe }@\text{ C}_{{60}}\) through a Xe 4d resonance window: theory versus recent experiment. J. Phys. B: At. Mol. Opt. Phys. 44, 191001 (2011)

    Google Scholar 

  74. E.M. Nascimento, F.V. Prudente, M.N. Guimarães, A.M. Maniero, A study of the electron structure of endohedrally confined atoms using a model potential. J. Phys. B: At. Mol. Opt. Phys. 44, 015003 (2011)

    ADS  Google Scholar 

  75. C.Y. Lin, Y.K. Ho, Photoionization of atoms encapsulated by cages using the power-exponential potential. J. Phys. B: At. Mol. Opt. Phys. 45, 145001 (2012)

    ADS  Google Scholar 

  76. M.F. Hasoğlu, H.-L. Zhou, S.T. Manson, Correlation study of endohedrally confined alkaline-earth-metal atoms \((\text{ A }@\text{ C}_{{60}})\). Phys. Rev. A 93, 022512 (2016)

    Google Scholar 

  77. T.-G. Lee, J.A. Ludlow, M.S. Pindzola, Sensitivity of cross sections to the diffuseness of the confining potential in time-dependent close-coupling calculations of the double photoionization of \(\text{ He }@\text{ C}_{{60}}\). Phys. Rev. A 87, 015401 (2013)

    Google Scholar 

  78. M.F. Hasoğlu, H.-L. Zhou, T.W. Gorczyca, S.T. Manson, Photoionization of confined Ca in a spherical potential well. Phys. Rev. A 87, 013409 (2013)

    ADS  Google Scholar 

  79. A.S. Baltenkov, S.T. Manson, A.Z. Msezane, Jellium model potentials for the \(\text{ C}_{{60}}\) molecule and the photoionization of endohedral atoms, \(\text{ A }@\text{ C}_{{60}}\). J. Phys. B: At. Mol. Opt. Phys. 48, 185103 (2015)

    Google Scholar 

  80. X. Xu, Y. Zhang, B. Li, X. Chen, Ab initio calculation of electrostatic potentials for \(\text{ C}_{{60}}\) and \(\text{ C}_{{\rm 80}}\). J. Phys. B: At. Mol. Opt. Phys. 53, 035102 (2020)

    Google Scholar 

  81. G.F. Bertsch, A. Bulgac, D. Tomanek, Y. Wang, Collective plasmon excitations in \(\text{ C}_{60}\) clusters. Phys. Rev. Lett. 67, 2690–2693 (1991)

    Google Scholar 

  82. I.V. Hertel, H. Steger, J. de Vries, B. Weisser, C. Menzel, B. Kamke, W. Kamke, Giant plasmon excitation in free \(\text{ C}_{{60}}\) and \(\text{ C}_{{\rm 70}}\) molecules studied by photoionization. Phys. Rev. Lett. 68, 784–787 (1992)

    Google Scholar 

  83. S.W.J. Scully, E.D. Emmons, M.F. Gharaibeh, R.A. Phaneuf, A.L.D. Kilcoyne, A.S. Schlachter, S. Schippers, A. Müller, H.S. Chakraborty, M.E. Madjet, J.M. Rost, Photoexcitation of a volume plasmon in \(\text{ C}_{{60}}\) ions. Phys. Rev. Lett. 94, 065503 (2005)

    Google Scholar 

  84. T. Barillot, C. Cauchy, P.-A. Hervieux, M. Gisselbrecht, S.E. Canton, P. Johnsson, J. Laksman, E.P. Mansson, J.M. Dahlström, M. Magrakvelidze, G. Dixit, M.E. Madjet, H.S. Chakraborty, E. Suraud, P.M. Dinh, P. Wopperer, K. Hansen, V. Loriot, C. Bordas, S. Sorensen, F. Lépine, Angular asymmetry and attosecond time delay from the giant plasmon resonance in \(\text{ C}_{{60}}\) photoionization. Phys. Rev. A 91, 033413 (2015)

    Google Scholar 

  85. H.S. Chakraborty, M.E. Madjet, T. Renger, J.M. Rost, Steven T. Manson, Photoionization of hybrid states in endohedral fullerenes. Phys. Rev. A 79, 061201(R) (2009)

    ADS  Google Scholar 

  86. S. Saha, J. Jose, Shannon entropy as a predictor of avoided crossing in confined atoms. Int. J. Quant. Chem. 120, e26374 (2020)

    Google Scholar 

  87. A.V. Verkhovtsev, R.G. Polozkov, V.K. Ivanov, A.V. Korol, A.V. Solov’yov, Hybridization-related correction to the jellium model for fullerenes. J. Phys. B: At. Mol. Opt. Phys. 45, 215101 (2012)

    ADS  Google Scholar 

  88. V.K. Dolmatov, S.T. Manson, Interior static polarization effect in \(\text{ A }@\text{ C}_{{60}}\) photoionization. Phys. Rev. A 82, 023422 (2010)

    Google Scholar 

  89. W. Even, J. Smith, M.W. Roth, Molecular dynamics simulations of noble gases encapsulated in \(\text{ C}_{{60}}\) Fullerene. Mol. Simul. 31, 207–213 (2005)

    Google Scholar 

  90. M.-S. Son, Y.K. Sung, The atom-atom potential. Exohedral and endohedral complexation energies of complexes of X@\(\text{ C}_{60}\) between fullerene and rare-gas atoms (\(\text{ X } = \text{ He, } \text{ Ne, } \text{ Ar, } \text{ Kr, } \text{ and } \text{ Xe }\)). Chem. Phys. Lett. 245, 113–118 (1995)

    Google Scholar 

  91. J. Lu, Y. Zhou, X. Zhang, X. Zhao, Density functional theory studies of beryllium-doped endohedral fullerene Be@\(\text{ C}_{60}\): on center displacement of beryllium inside the \(\text{ C}_{{60}}\) cage. Chem. Phys. Lett. 352, 8–11 (2002)

    Google Scholar 

  92. M. Neek-Amal, G. Tayebirad, R. Asgari, Ground-state properties of a confined simple atom by \(\text{ C}_{{60}}\) fullerene. J. Phys. B: At. Mol. Opt. Phys. 40, 1509–1521 (2007)

    Google Scholar 

  93. A.S. Baltenkov, U. Becker, S.T. Manson, A.Z. Msezane, Effects of the fullerene (\(\text{ C}_{{60}})\) potential and position of the atom (A) on spectral characteristics of endohedral atoms \(\text{ A }@\text{ C}_{{60}}\). J. Phys. B: At. Mol. Opt. Phys. 43, 115102 (2010)

    Google Scholar 

  94. Z. Chen, A.Z. Msezane, Off-center effect on the photoabsorption spectra of encapsulated Xe atoms. Phys. Rev. A 89, 025401 (2014)

    ADS  Google Scholar 

  95. A.V. Verkhovtsev, A.V. Korol, A.V. Solov’yov, Quantum and classical features of the photoionization spectrum of \(\text{ C}_{{60}}\). Phys. Rev. A 88, 043201 (2013)

    Google Scholar 

  96. A.V. Verkhovtsev, A.V. Korol, A.V. Solov’yov, Quantum and classical phenomena in photoionization of carbon nanostructures. J. Phys.: Conf. Ser. 490, 12159 (2014)

    Google Scholar 

  97. A. Verkhovtsev, A.V. Korol, A.V. Solov’yov, Photoionization of multishell fullerenes studied by ab initio and model approaches. Eur. Phys. J. D 70, 221 (2016)

    ADS  Google Scholar 

  98. P. Bolognesi, L. Avaldi, A. Ruocco, A. Verkhovtsev, A.V. Korol, A.V. Solov’yov, Collective excitations in the electron energy loss spectra of \(\text{ C}_{{60}}\). Eur. Phys. J. D 66, 254 (2012)

    Google Scholar 

  99. Y. Lei, Bo Wang, Y. Gao, W. Jiang, D. Xu, W. Zhang, Z. Wang, High stability of the He atom confined in a \(\text{ U }@\text{ C}_{{60}}\) fullerene. RSC Adv. 6, 29288–29293 (2016)

    Google Scholar 

  100. J.P. Connerade, V.K. Dolmatov, P.A. Lakshmi, S.T. Manson, Electron structure of endohedrally confined atoms: atomic hydrogen in an attractive shell. J. Phys. B: At. Mol. Opt. Phys. 32, L239–L245 (1999)

    ADS  Google Scholar 

  101. L.D. Landau, E.M. Lifshitz, Quantum Mechanics: Nonrelativistic Theory (Pergamon Press, Oxford, 1965)

    MATH  Google Scholar 

  102. B.H. Bransden, C.J. Joachain, Physics of Atoms and Molecules, 2nd edn. (Prentice-Hall, London, 2003)

    Google Scholar 

  103. H.E. Montegomery Jr., V.I. Pupyshev, Confined helium: excited singlet and triplet states. Phys. Let. A 377, 2880–2883 (2013)

    ADS  Google Scholar 

  104. A.F. Riveros, N. Aquino, H.E. Montgomery Jr., Spherically compressed helium atom described by perturbative and variational methods. Phys. Lett. A 374, 1246–1152 (2010)

    MATH  ADS  Google Scholar 

  105. S.B. Doma, F.N. El-Gammal, Application of variational Monte Carlo method to the confined helium atom. J. Theor. Appl. Phys. 6, 28 (2012)

    ADS  Google Scholar 

  106. F.S. Shuai, Q.H. Xue, Spectral properties of endohedrally confined helium atom. Chin. Phys. B 24, 083101 (2015)

    ADS  Google Scholar 

  107. D.M. Mitnik, J. Randazzo, G. Gasaneo, Endohedrally confined helium: study of mirror collapses. Phys. Rev. A 78, 062501 (2008)

    ADS  Google Scholar 

  108. E. Cuestas, P. Serra, Localization of the valence electron of endohedrally confined hydrogen, lithium and sodium in fullerene cages. Int. J. Mod. Phys. B 30, 1650055 (2016)

    MathSciNet  ADS  Google Scholar 

  109. V.K. Dolmatov, Confinement-induced orbital breathing, fusion, fission and re-ordering in semifilled shell atoms. J. Phys. B: At. Mol. Opt. Phys. 46, 095005 (2013)

    ADS  Google Scholar 

  110. A. Sargsyan, D. Sarkisyan, Electromagnetically induced transparency in \(\Lambda \)-system involving D2 line of Rb atoms confined in sub-micron columns. Opt. Spectrosc. 111, 334–341 (2011)

    Google Scholar 

  111. K. Yakigaya, A. Takeda, Y. Yokoyama, S. Ito, T. Miyazaki, T. Suetsuna, H. Shimotani, T. Kakiuchi, H. Sawa, H. Takagi, K. Kitazawa, N. Dragoe, Superconductivity of doped \(\text{ Ar }@\text{ C}_{{60}}\). New J. Chem. 31, 973–979 (2007)

    Google Scholar 

  112. S. Bharti, L. Sharma, B.K. Sahoo, P. Malkar, R. Srivastava, Application of relativistic coupled cluster theory to elastic scattering of electrons from confined Ca atoms. J. Phys. B: At. Mol. Opt. Phys. 52, 185003 (2019)

    ADS  Google Scholar 

  113. H.R. Varma, P.C. Deshmukh, V.K. Dolmatov, S.T. Manson, Correlation and relativistic effects on the photoionization of confined atoms. Phys. Rev. A 76, 012711 (2007)

    ADS  Google Scholar 

  114. A. Kumar, G.B. Pradhan, H.R. Varma, P.C. Deshmukh, S.T. Manson, Photoionization of Ca 4s in a spherical attractive well potential: dipole, quadrupole and relativistic effects. J. Phys. B: At. Mol. Opt. Phys. 47, 185003 (2014)

    ADS  Google Scholar 

  115. Á. Nagy, Fisher and Shannon information in orbital-free density functional theory. Int. J. Quantum Chem. 115, 1392–1395 (2014)

    Google Scholar 

  116. K.D. Sen, Characteristic features of Shannon information entropy of confined atoms. J. Chem. Phys. 123, 074110 (2005)

    ADS  Google Scholar 

  117. W.S. Nascimento, F.V. Prudente, Shannon entropy: a study of confined hydrogenic-like atoms. Chem. Phys. Lett. 691, 401–407 (2018)

    ADS  Google Scholar 

  118. N. Aquino, A. Flores-Riveros, J.F. Rivas-Silva, Shannon and Fisher entropies for a hydrogen atom under soft spherical confinement. Phys. Lett. A 377, 2062–2068 (2013)

    MathSciNet  MATH  ADS  Google Scholar 

  119. N. Mukherjee, A.K. Roy, Information-entropic measures in free and confined hydrogen atom. Int. J. Quantum Chem. 118, 25596 (2018)

    Google Scholar 

  120. R. Gonzalez-Ferez, J.S. Dehesa, Shannon entropy as an indicator of atomic avoided crossings in strong parallel magnetic and electric fields. Phys. Rev. Lett. 91, 113001 (2003)

    ADS  Google Scholar 

  121. L.G. Jiao, L.R. Zan, Y.Z. Zhang, Y.K. Ho, Benchmark values of Shannon entropy for spherically confined hydrogen atom. Int. J. Quantum Chem. 117, 25375 (2017)

    Google Scholar 

  122. C.R. Estañón, N. Aquino, D. Puertas-Centeno, J.S. Dehesa, Two-dimensional confined hydrogen: an entropy and complexity approach. Int. J. Quantum Chem. 120, 26192 (2020)

    Google Scholar 

  123. R.A. Fisher, Theory of statistical estimation. Math. Proc. Camb. Philos. Soc. 22, 700–725 (1925)

    MATH  ADS  Google Scholar 

  124. L. Wu, S. Zhang, B. Li, Fisher information for endohedrally confined hydrogen atom. Phys. Lett. A 384, 126033 (2020)

    MATH  Google Scholar 

  125. J.P. Connerade, R. Semaoune, Relativistic study of the electronic structure and 5d orbital of La confined inside a \(\text{ C}_{{60}}\) fullerene cage. J. Phys. B: At. Mol. Opt. Phys. 33, 869–880 (2000)

    Google Scholar 

  126. J.P. Connerade, V.K. Dolmatov, P.A. Lakshmi, The filling of shells in compressed atoms. J. Phys. B: At. Mol. Opt. Phys. 33, 251–264 (2000)

    ADS  Google Scholar 

  127. A.V. Korol, A.V. Solov’yov, Confinement resonances in the photoionization of endohedral atoms: myth or reality? J. Phys. B: At. Mol. Opt. Phys. 43, 201004 (2010)

    ADS  Google Scholar 

  128. J. George, H.R. Varma, P.C. Deshmukh, S.T. Manson, Photoionization of atomic krypton confined in the fullerene \(\text{ C}_{{60}}\). J. Phys. B: At. Mol. Opt. Phys. 45, 185001 (2012)

    Google Scholar 

  129. V.K. Dolmatov, G.T. Craven, E. Guler, D. Keating, Revivification of confinement resonances in the photoionization of \(\text{ A }@\text{ C}_{{60}}\) endohedral atoms far above thresholds. Phys. Rev. A 80, 035401 (2009)

    Google Scholar 

  130. M.Ya. Amusia, L.V. Chernysheva, S.T. Manson, A.Z. Msezane, V. Radojevic, Strong electron correlation in photoionization of spin orbit doublets. Phys. Rev. Lett. 88, 093002 (2002)

    ADS  Google Scholar 

  131. S. Sunil Kumar, T. Banerjee, P.C. Deshmukh, S.T. Manson, Spin-orbit-interaction activated interchannel coupling in dipole and quadrupole photoionization. Phys. Rev. A 79, 043401 (2009)

    ADS  Google Scholar 

  132. A. Derevianko, W.R. Johnson, K.T. Cheng, Non-dipole effects in photoelectron angular distributions for rare gas atoms. At. Data Nucl. Data Tab. 73, 153–211 (1999)

    ADS  Google Scholar 

  133. H.S. Chakraborty, M.E. Madjet, J.M. Rost, S.T. Manson, Dynamical effects of confinement on atomic valence photoionization in \(\text{ Mg }@\text{ C}_{{60}}\). Phys. Rev. A 78, 013201 (2008)

    Google Scholar 

  134. M.H. Javani, J.B. Wise, R. De, M.E. Madjet, S.T. Manson, H.S. Chakraborty, Resonant Auger-intersite-Coulombic hybridized decay in the photoionization of endohedral fullerenes. Phys. Rev. A 89, 063420 (2014)

    ADS  Google Scholar 

  135. R. De, M. Magrakvelidze, M.E. Madjet, S.T. Manson, H.S. Chakraborty, First prediction of inter-Coulombic decay of \(\text{ C}_{{60}}\) inner vacancies through the continuum of confined atoms. J. Phys. B: At. Mol. Opt. Phys. 49, 11LT01 (2016)

    Google Scholar 

  136. M. Magrakvelidze, R. De, M.H. Javani, M.E. Madjet, S.T. Manson, H.S. Chakraborty, Coherence of Auger and inter-Coulombic decay processes in the photoionization of \(\text{ Ar }@\text{ C}_{{60}}\) versus \(\text{ Kr }@\text{ C}_{{60}}\). Euro. Phys. J. D 70, 96 (2016)

    Google Scholar 

  137. M.A. McCune, M.E. Madjet, H.S. Chakraborty, Reflective and collateral photoionization of an atom inside a fullerene: confinement geometry from reciprocal spectra. Phys. Rev. A 80, 011201(R) (2009)

    ADS  Google Scholar 

  138. M. Schultze, M. Fieß, N. Karpowicz, J. Gagnon, M. Korbman, M. Hofstetter, S. Nepp, A.L. Cavalieri, Y. Komninos, Th Mercouris, C.A. Nicolaides, R. Pazourek, S. Nagele, J. Feist, J. Burgdörfer, A.M. Azzeer, R. Ernstorfer, R. Kienberger, U. Kleineberg, E. Goulielmakis, F. Krausz, V.S. Yakovlev, Delay in photoemission. Science 328, 1658–1662 (2010)

    ADS  Google Scholar 

  139. K. Klunder, J.M. Dahlstrom, M. Gisselbrecht, T. Fordell, M. Swoboda, D. Guenot, P. Johnsson, J. Caillat, J. Mauritsson, A. Maquet, R. Taieb, A. LHuillier, Probing single-photon ionization on the attosecond time scale. Phys. Rev. Lett. 106, 143002 (2011)

    ADS  Google Scholar 

  140. E.P. Wigner, Lower limit for the energy derivative of the scattering phase shift. Phys. Rev. 98, 145–147 (1955)

    MathSciNet  MATH  ADS  Google Scholar 

  141. F.T. Smith, Lifetime matrix in collision theory. Phys. Rev. 118, 349–356 (1960)

    MathSciNet  MATH  ADS  Google Scholar 

  142. G. Dixit, H.S. Chakraborty, M.E. Madjet, Time delay in the recoiling valence-photoemission of Ar endohedrally confined in \(\text{ C}_{{60}}\). Phys. Rev. Lett. 111, 203003 (2013)

    Google Scholar 

  143. M.Ya. Amusia, L.V. Chernysheva, On the behavior of scattering phases in collisions of electrons with multiatomic objects. JETP Lett. 100, 503–506 (2015)

    ADS  Google Scholar 

  144. V.K. Dolmatov, M.B. Cooper, M.E. Hunter, Electron elastic scattering off endohedral fullerenes \(\text{ A }@\text{ C}_{{60}}\): the initial insight. J. Phys. B: At. Mol. Opt. Phys. 47, 115002 (2014)

    Google Scholar 

  145. V.K. Dolmatov, C. Bayens, M.B. Cooper, M.E. Hunter, Electron elastic scattering and low-frequency bremsstrahlung on \(\text{ A }@\text{ C}_{{60}}\): a model static-exchange approximation. Phys. Rev. A 91, 062703 (2015)

    Google Scholar 

  146. V.K. Dolmatov, J.L. King, J.C. Oglesby, Diffuse versus square-well confining potentials in modelling \(\text{ A }@\text{ C}_{{60}}\) atoms. J. Phys. B: At. Mol. Opt. Phys. 45, 105102 (2012); Corrigendum, 48, 069501 (2015)

  147. R.R. Lucchese, F.A. Gianturco, N. Sanna, Low-energy electron scattering from \(\text{ C}_{{60}}\) molecules. Chem. Phys. Lett. 305, 413–418 (1999)

    Google Scholar 

  148. F.A. Gianturco, R.R. Lucchese, N. Sanna, Computed elastic cross sections and angular distributions of low-energy electron scattering from gas phase \(\text{ C}_{{60}}\) fullerene. J. Phys. B: At. Mol. Opt. Phys. 32, 2181–2193 (1999)

    Google Scholar 

  149. F.A. Gianturco, R.R. Lucchese, One-particle resonances in low-energy electron scattering from \(\text{ C}_{{60}}\). J. Chem. Phys. 111, 6769–6786 (1999)

    Google Scholar 

  150. V.K. Dolmatov, A. Edwards, Role of polarizability of a \(\text{ C}_{\rm N}\) fullerene cage in A@ \(\text{ C}_{\rm N}\) photoionization and e-\(\text{ C}_{{\rm N}}\) scattering: the size effect. J. Phys. B: At. Mol. Opt. Phys. 52, 105001 (2019)

    Google Scholar 

  151. M.Ya. Amusia, L.V. Chernysheva, V.K. Dolmatov, Angle-differential elastic-electron scattering off \(\text{ C}_{{60}}\): A simple semi-empirical theory versus experiment. J. Phys. B: At. Mol. Opt. Phys. 52, 085201 (2019)

    Google Scholar 

  152. Claude Le Sech, Arup Banerjee, A variational approach to the Dirichlet boundary condition: application to confined \(\text{ H}^{{\rm -}}\), He and Li. J. Phys. B: At. Mol. Opt. Phys. 44, 105003 (2011)

    Google Scholar 

  153. A.S. Baltenkov, A.Z. Msezane, Doubly-charged negative ion of \(\text{ C}_{{60}}\) molecule. Proc. Dyn. Syst. Appl. 7, 239–245 (2016)

    MATH  Google Scholar 

  154. Z. Felfli, K. Suggs, N. Nicholas, A.Z. Msezane, Fullerene negative ions: formation and catalysis. Int. J. Mol. Sci. 21, 3159 (2020)

    Google Scholar 

  155. Z. Felfli, A.Z. Msezane, Simple method for determining fullerene negative ion formation. Eur. Phys. J. D 72, 78 (2018)

    ADS  Google Scholar 

  156. V.K. Dolmatov, Impact of fullerene polarizability on Wigner time delay in photodetachment of fullerene anions \(\text{ C}_{\rm N}^{\rm -}\). J. Phys.: Conf. Ser. 875, 022013 (2017)

  157. A.C. Edwards, C.G. Lane, V.K. Dolmatov, Spin-polarized electrons upon nondipole photodetachment of fullerene anions. J. Phys.: Conf. Ser. 875, 032032 (2017)

  158. V.K. Dolmatov, Spin-polarized photoelectron fluxes from fullerene anions. Atoms 8, 65 (2020)

    ADS  Google Scholar 

  159. A. Thuppilakkadan, J. Jose, H.R. Varma, Systematic study of Coulomb confinement resonances of atoms trapped inside charged fullerenes. Phys. Rev. A 102, 062826 (2020)

    ADS  Google Scholar 

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Acknowledgements

PCD acknowledges support from CAMOST (IIT Tirupati) and from DSU. HRV acknowledges the support from DST-SERB, India under Grant No. EMR/2016/002695 and JJ appreciates the support from DST-SERB, India under Grant No. ECR/2016/001564. The work of STM was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award # DE-FG02-03ER15428.

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Authors and Affiliations

  1. Department of Physics and CAMOST, Indian Institute of Technology Tirupati, Tirupati, 517506, India

    P. C. Deshmukh

  2. Department of Physics, Dayananda Sagar University, Bengaluru, 560114, India

    P. C. Deshmukh

  3. Department of Physics, Indian Institute of Technology Patna, Bihta-801103, Bihar, India

    J. Jose

  4. School of Basic Sciences, Indian Institute of Technology Mandi, Mandi-175075, Himachal Pradesh, India

    H. R. Varma

  5. Department of Physics and Astronomy, Georgia State University, Atlanta, GA, 30303, USA

    S. T. Manson

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Deshmukh, P.C., Jose, J., Varma, H.R. et al. Electronic structure and dynamics of confined atoms. Eur. Phys. J. D 75, 166 (2021). https://doi.org/10.1140/epjd/s10053-021-00151-2

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