The computation of oscillator strengths and optical rotatory strengths from molecular wavefunctions. The electronic states of H2O, CO, HCN, H2O
- 1 November 1977
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 25 (3) , 409-424
- https://doi.org/10.1016/0301-0104(77)85151-3
Abstract
No abstract availableKeywords
This publication has 72 references indexed in Scilit:
- A theory of self-consistent electron pairs. Computational methods and preliminary applicationsThe Journal of Chemical Physics, 1976
- Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctionsThe Journal of Chemical Physics, 1976
- A new technique for describing the electronic states of atoms and molecules — The vector methodChemical Physics Letters, 1975
- Direct determination of pair natural orbitalsTheoretical Chemistry Accounts, 1975
- PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methaneThe Journal of Chemical Physics, 1973
- A new method for large-scale Cl calculationsChemical Physics Letters, 1972
- Direct Calculation of Natural Orbitals by Many-Body Perturbation Theory: Application to HeliumThe Journal of Chemical Physics, 1969
- Pseudonatural Orbitals as a Basis for the Superposition of Configurations. I. He2+The Journal of Chemical Physics, 1966
- A Natural Orbital Based Energy Calculation for Helium Hydride and Lithium HydrideThe Journal of Physical Chemistry, 1966
- Structure of Fermion Density MatricesReviews of Modern Physics, 1963