On the use of spatial symmetry in atomic‐integral calculations: An efficient permutational approach
- 1 January 1979
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 15 (1) , 57-71
- https://doi.org/10.1002/qua.560150107
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- Angular dependence of Gaussian‐Lobe orbitals. II. Set of axial Gaussian‐Lobe orbitalsInternational Journal of Quantum Chemistry, 1978
- Angular dependence of Gaussian‐Lobe orbitals. I. Analysis of standard p‐ and d‐orbitalsInternational Journal of Quantum Chemistry, 1978
- 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
- Properties of the benzene molecule near the Hartree-Fock limitThe Journal of Chemical Physics, 1973
- Use of molecular symmetry in SCF calculationsInternational Journal of Quantum Chemistry, 1973
- Computer Algorithms for Symmetry Adaptation: A General Method for Molecular Point GroupsThe Journal of Chemical Physics, 1972
- Gaussian Lobe Function Expansions of Hartree–Fock Solutions for the Second-Row AtomsThe Journal of Chemical Physics, 1969
- A numerical method to obtain a symmetry-adapted basis from the hamiltonian or a similar matrixTheoretical Chemistry Accounts, 1967
- Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and EthyleneThe Journal of Chemical Physics, 1966