Ab initio excitation spectrum of the CO-Ar Van der Waals molecule

H. Castejon; M. C. Salazar; J. L. Paz; A. J. Hernandez

doi:10.1117/12.590771

21 October 2004 Ab initio excitation spectrum of the CO-Ar Van der Waals molecule

H. Castejon, M. C. Salazar, J. L. Paz, A. J. Hernandez

Proceedings Volume 5622, 5th Iberoamerican Meeting on Optics and 8th Latin American Meeting on Optics, Lasers, and Their Applications; (2004) https://doi.org/10.1117/12.590771
Event: 5th Iberoamerican Meeting on Optics and 8th Latin American Meeting on Optics, Lasers, and Their Applications, 2004, Porlamar, Venezuela

Abstract

In the present contribution we performed ab initio calculations at the CCSD(T) level of theory in the framework of the supermolecule approach on the CO-Ar van der Waals (VdW) complex. The interaction energy of the ground CO(X¹Σ)-Ar(¹S) and excited CO(A¹II)-Ar(¹S) states and corresponding vertical excitation energies are therefore calculated.

Citation Download Citation

H. Castejon, M. C. Salazar, J. L. Paz, and A. J. Hernandez "Ab initio excitation spectrum of the CO-Ar Van der Waals molecule", Proc. SPIE 5622, 5th Iberoamerican Meeting on Optics and 8th Latin American Meeting on Optics, Lasers, and Their Applications, (21 October 2004); https://doi.org/10.1117/12.590771

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