Adiabatic corrections to the energies of 50 typical medium size molecules containing H atoms
作者： José R. Mohallem , Cristina P. Gonçalves , Tathiana Moreira
DOI: 10.1016/J.CPLETT.2005.03.031
关键词: Molecule 、 Constant (mathematics) 、 Atomic physics 、 Series (mathematics) 、 Electron 、 Chemistry 、 Adiabatic process
摘要: Abstract The adiabatic correction is calculated for a series of 50 typical medium size molecules containing H atoms, most them the first time. effect increases with organic compounds. For this kind it found, as general rule, that per electron an almost constant value, amounting approximately 0.27 × 10 −3 au.
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