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Dressed potential energy surface of the hydrogen molecule in high‐frequency Floquet theory
Author(s) -
Pérez Del Valle C.,
Lefebvre R.,
Atabek O.
Publication year - 1998
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1998)70:1<199::aid-qua17>3.0.co;2-a
Subject(s) - floquet theory , anisotropy , potential energy surface , molecule , chemistry , hydrogen molecule , hydrogen , surface (topology) , field (mathematics) , quantum , computational chemistry , atomic physics , molecular physics , quantum mechanics , physics , geometry , mathematics , nonlinear system , pure mathematics , organic chemistry
The potential energy surface resulting from the application of the high‐frequency Floquet theory to the hydrogen molecule coupled to a linearly polarized field is determined. The method uses a standard quantum chemistry program. It is found that the anisotropy of the surface is more pronounced than in the case of the hydrogen molecular cation. This is indicative of a strong propensity for an alignment of the internuclear axis in the direction of the applied field. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 199–203, 1998