Configuration interaction study of the oscillator strenghts for the 1A11A1 and 1A11A1 transitions of the water molecule
- 15 December 1985
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 100 (3) , 331-337
- https://doi.org/10.1016/0301-0104(85)87059-2
Abstract
No abstract availableThis publication has 23 references indexed in Scilit:
- The X̃ 1A1 → Ã 1B1 transition moment of H2O using state-specific configuration-interaction wave functionsThe Journal of Chemical Physics, 1985
- Nonorthonormal CI for molecular excited states. I. The sudden polarization effect in 90° twisted ethyleneThe Journal of Chemical Physics, 1984
- Accurate a b i n i t i o calculations of radiative transition probabilities between the A 3Σ+u, B 3Πg, W 3Δu, B′ 3Σ−u, and C 3Πu states of N2The Journal of Chemical Physics, 1984
- Bending potentials for H2O in the ground and the first six singlet excited statesChemical Physics Letters, 1984
- X-ray emission of the nitrogen molecule following photon or electron impact. A theoretical study using configuration-interaction wavefunctionsChemical Physics, 1984
- Specific correlation effects in inner-electron photoelectron spectroscopyPhysical Review A, 1982
- Potential energy surfaces for the photodissociation H2O→O(1Dg + H2(X1Σ+g)Chemical Physics Letters, 1982
- Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniquesMolecular Physics, 1978
- Energy extrapolation in CI calculationsTheoretical Chemistry Accounts, 1975
- Individualized configuration selection in CI calculations with subsequent energy extrapolationTheoretical Chemistry Accounts, 1974