First derivatives of correlated wave functions by a matrix‐oriented method: Preliminary application to molecular dipole and quadrupole moments
- 1 September 1985
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 28 (3) , 411-417
- https://doi.org/10.1002/qua.560280308
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- The most efficacious one-electron bases for determining and representing correlated molecular electronic wave functions. Unity in seemingly disparate electron correlation methodsThe Journal of Chemical Physics, 1982
- Calculation of one‐electron properties using limited configuration interaction techniquesInternational Journal of Quantum Chemistry, 1981
- An electron pair operator approach to coupled cluster wave functions. Application to He2, Be2, and Mg2 and comparison with CEPA methodsThe Journal of Chemical Physics, 1981
- Theoretical dipole moment functions of the HF, HCl, and HBr moleculesThe Journal of Chemical Physics, 1980
- Molecular hyperpolarizabilities. I. Theoretical calculations including correlationPhysical Review A, 1979
- First‐order properties and the Hellmann–Feynman theorem in the case of a limited CI wave functionInternational Journal of Quantum Chemistry, 1979
- Molecular structure of the methyl anion CH−3. An investigation of the effects of electron correlation using the theory of self-consistent electron pairs (SCEP)The Journal of Chemical Physics, 1977
- A theory of self-consistent electron pairs. Computational methods and preliminary applicationsThe Journal of Chemical Physics, 1976
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969
- Theoretical Studies of the Kerr Effect I: Deviations from a Linear Polarization LawProceedings of the Physical Society. Section A, 1955