Abstract
The vibrational state transition of a polyatomic molecule due to a uniform electric field (EF) has been studied. Depending on the changing rate of the applied EF, either sudden or adiabatic approximation can be applied for the state transition; the former leads to a vibrational excitation and the latter to a distortion of molecular geometry without excitation. The case of the H 2O molecule in a uniform EF is demonstrated by the second-order Møller-Plesset method based on the unrestricted Hartree-Fock scheme with 6-3 1G ∗∗ basis sets. A new concept, “equi-quantum number map”, has been presented to analyze the transition of the vibrational state due to the EF.
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