Digitale Medien
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
82 (1985), S. 3207-3213
ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
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.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.448219
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