منابع مشابه
Electronic non-adiabatic states
A novel treatment of non-adiabatic couplings is proposed. The derivation starts from the long-known, but not well-known, fact that the wave function of the complete system of elctrons and nuclei can be written, without approximation, as a Born-Oppenheimer-type product of a nuclear wavefunction, X(R), and an electronic one, ΦR(r), which depends parametrically on the nuclear configuration R. From...
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ژورنال
عنوان ژورنال: Petroleum & Petrochemical Engineering Journal
سال: 2017
ISSN: 2578-4846
DOI: 10.23880/ppej-16000111