Some problems est the calculation of ab initio potential energy curves |
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| Authors: | Włodzimierz Kołos |
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| Affiliation: | Quantum Chemistry Laboratory, Institute of Basic Problems of Chemistry, University of Warsaw, WarsawPoland |
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| Abstract: | The non-adiabatic and adiabatic approaches to the calculation of molecular energy levels are presented. The concept of the potential energy curve, its accuracy and limitations are discussed. Simplified approaches to calculations of the intermolecular potential energy curves are also considered. |
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