The molecular Hamiltonian in internal coordinates
作者： R. Islampour * , H. Ebrahimi
DOI: 10.1080/00268970500070298
关键词:
摘要: A systematic approach for the derivation of exact translational–rovibronic (non-relativistic) Hamiltonian a polyatomic molecule consisting N nuclei and n electrons is presented. All coupling terms which contribute to total energy are identified. The greatly simplified by taking internal coordinates (bond lengths bond angles) as vibrational variables. triatomic molecules considered an application this general formulation.
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