Test of an integral approximation scheme based on semiorthogonalized orbitals in LCAO SCF MO CI calculations of naphthalene
- 1 September 1977
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 12 (3), 449-456
- https://doi.org/10.1002/qua.560120304
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Hartree–Fock diamond results illustrating two integral approximationsThe Journal of Chemical Physics, 1976
- Integral approximations on the basis of semiorthogonalized orbitalsInternational Journal of Quantum Chemistry, 1976
- Electron repulsion integral approximations and error bounds: Molecular applicationsThe Journal of Chemical Physics, 1974
- Charge-conserving integral approximations for ab initio quantum chemistryThe Journal of Chemical Physics, 1974
- Charge-conserving integral approximations for ab initio quantum chemistryChemical Physics Letters, 1973
- A generalization of the löwdin orthogonalizationInternational Journal of Quantum Chemistry, 1973
- Computation of Large Molecules with the Hartree-Fock ModelProceedings of the National Academy of Sciences, 1972
- An attempt to determine the structure parameters of condensed ring hydrocarbons using the electron diffraction method in gas moleculesActa Crystallographica, 1961
- Orthogonalization Procedures and the Localization of Wannier FunctionsPhysical Review B, 1957
- Maximal Orthogonal OrbitalsPhysical Review B, 1956