Extended approximated Born-Oppenheimer equation. I. Theory
作者： Michael Baer , Sheng H. Lin , Alexander Alijah , Satrajit Adhikari , Gert D. Billing
DOI: 10.1103/PHYSREVA.62.032506
关键词: Degeneracy (mathematics) 、 Mathematical physics 、 Conical intersection 、 Born–Oppenheimer approximation 、 Physics 、 Surface (mathematics) 、 Extension (predicate logic) 、 Single line 、 Adiabatic process 、 Vibronic coupling 、 Classical mechanics
摘要: In this study we consider Born-Oppenheimer coupled equations with the aim of deriving a single approximated Born-Oppenheimer-type equation which contains effect nonadiabatic coupling terms. The derivation is done for situation where N (\ensuremath{\geqslant}2) adiabatic surfaces, including ground-state surface, have degeneracy along line (e.g., conical intersection). new can be considered as an extended version approximation. Although derived nongeneral case, extension to general case also discussed. As special cases treat, in present paper, two-state system and, following three-state system.
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