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Deviations from the born-oppenheimer approximation in nonlinear X2Y molecules

Abstract

The full electron-nuclear operator of a nonlinear molecule is diagonalized on the (nondegenerate) basis of electron states. Corrections to the vibration-rotation Hamiltonian of the Born-Oppenheimer adiabatic approximation are derived from it. Corrections to harmonic frequencies and reciprical moments of inertia, generated by deviations from the Born-Oppenheimer approximation, are obtained for molecules of the H2O type.

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Additional information

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No.7, pp. 120–125, July, 1975.

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Makushkin, Y.S., Ulenikov, O.N. Deviations from the born-oppenheimer approximation in nonlinear X2Y molecules. Soviet Physics Journal 18, 1011–1015 (1975). https://doi.org/10.1007/BF00894540

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Keywords

  • Electron State
  • Harmonic Frequency
  • Adiabatic Approximation
  • Nonlinear Molecule