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- W2077952556 abstract "The Born-Oppenheimer approximation is usually satisfactory for ground electronic states of neutral molecules; its failure in the excited electronic states of polyatomic molecules and ions is a common occurrence. It is thus of interest to investigate molecular quantum theory without imposing the Born-Oppenheimer approximation at the outset. I review what is known about the full Schrödinger equation for a molecule (regarded as a collection of electrons and nuclei with Coulombic interactions), comment from this point-of-view on the conventional procedures that invoke the Born adiabatic argument, and highlight the problem of molecular structure for molecular quantum theory. It is plausible that the classical behaviour manifested in the occurrence of distinct chemical isomers may find its rationalization in persistent interactions between a molecule and its environment, but this remains very much an open question." @default.
- W2077952556 created "2016-06-24" @default.
- W2077952556 creator A5058485730 @default.
- W2077952556 date "1991-05-01" @default.
- W2077952556 modified "2023-09-27" @default.
- W2077952556 title "Quantum chemistry beyond the Born-Oppenheimer approximation" @default.
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- W2077952556 doi "https://doi.org/10.1016/0166-1280(91)85170-c" @default.
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