Ab initio calculations on small hydrides including electron correlation
- 1 January 1970
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 17 (5) , 339-347
- https://doi.org/10.1007/bf00528569
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- Atomic Multiconfiguration Self-Consistent-Field WavefunctionsThe Journal of Chemical Physics, 1969
- Direct Calculation of Approximate Natural Orbitals and Natural Expansion Coefficients of Atomic and Molecular Electronic Wavefunctions. II. Decoupling of the Pair Equations and Calculation of the Pair Correlation Energies for the Be and LiH Ground StatesThe Journal of Chemical Physics, 1968
- Atomic Bethe-Goldstone Equations. I. The Be AtomPhysical Review B, 1967
- Multi-Configuration Self-Consistent-Field TheoryProgress of Theoretical Physics Supplement, 1967
- Complete multi-configuration self-consistent field theoryTheoretical Chemistry Accounts, 1967
- Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2The Journal of Chemical Physics, 1966
- Study of Separated Electron Pairs in the LiH MoleculeThe Journal of Chemical Physics, 1965
- On the Correlation Energy in the CH4 MoleculeThe Journal of Chemical Physics, 1964
- Correlation Energy in the CH4 MoleculeThe Journal of Chemical Physics, 1963
- Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron CorrelationsThe Journal of Chemical Physics, 1962