A comparative study of vibrational SCF and CI wavefunctions and expectation values
- 1 January 1983
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 92, 361-372
- https://doi.org/10.1016/0022-2860(83)90376-9
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and a b i n i t i o quantum chemical informationThe Journal of Chemical Physics, 1981
- SCF CI calculations for vibrational eigenvalues and wavefunctions of systems exhibiting fermi resonanceChemical Physics Letters, 1980
- An SCF-state interaction method for coupled oscillator systemsChemical Physics, 1980
- Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. I. Method and application to H2O, HNO, HOF and HOClChemical Physics, 1979
- A practical method for calculating approximate mean amplitudes of vibration without refined force fieldsJournal of Molecular Structure, 1979
- Self-consistent field energies and wavefunctions for coupled oscillatorsThe Journal of Chemical Physics, 1978
- Variational Approaches to Vibration‐Rotation Spectroscopy for Polyatomic MoleculesAdvances in Chemical Physics, 1978
- A simplified valence force field of aromatic hydrocarbons—I Normal co-ordinate calculations for C6D6, C6D6, C10H8, C10D8, C14H10 and C14D10Spectrochimica Acta, 1966
- The fluorescence spectrum of naphthalene vapor in the 3100A regionJournal of Molecular Spectroscopy, 1962
- The Vibration-Rotation Energies of MoleculesReviews of Modern Physics, 1951