An automatic procedure for the symmetry blocking of semi-empirical Hamiltonians
- 28 February 1982
- journal article
- Published by Elsevier in Journal of Computational Physics
- Vol. 45 (2) , 255-265
- https://doi.org/10.1016/0021-9991(82)90120-6
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
- An algorithm for the construction of fully symmetry adapted Fock matrices for molecular Hartree-Fock calculationsComputers & Chemistry, 1977
- Electron repulsion integrals and symmetry adapted charge distributionsThe Journal of Chemical Physics, 1973
- Contribution of atomic orbital integrals to symmetry orbital integralsThe Journal of Chemical Physics, 1973
- An algorithm for the use of symmetry in molecular self-consistent-field calculationsChemical Physics Letters, 1973
- Computer Generation of Molecular Symmetry OrbitalsThe Journal of Chemical Physics, 1972
- Computer Algorithms for Symmetry Adaptation: A General Method for Molecular Point GroupsThe Journal of Chemical Physics, 1972