Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
82 (1985), S. 3207-3213
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Generally, the adiabatic approximation is defined via a projection onto an adiabatically moving electronic base. The Hamiltonian then is separated into three constituents ("adiabatic,'' "diagonal-nonadiabatic,'' "nondiagonal-nonadiabatic''). A model system is considered for which the correct zero-order eigenfunctions are known. It is shown that with these any single of the three Hamiltonian constituents yields diverging expectation values; only their sum yields convergence. From this the conclusion seems stringent that any result pertaining to electronic transitions, which is based on the adiabatic approximation, is an artifact.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.448219
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