On the role of symmetry in the ab initio hartree‐fock linear‐combination‐of‐atomic‐orbitals treatment of periodic systems
- 1 June 1986
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 29 (6) , 1755-1774
- https://doi.org/10.1002/qua.560290608
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- Electronic structure and stability of different crystal phases of magnesium oxidePhysical Review B, 1986
- Hartree-Fock study of crystalline lithium nitridePhysical Review B, 1984
- Hartree-Fock study of lithium hydride with the use of a polarizable basis setPhysical Review B, 1984
- Treatment of Coulomb interactions in Hartree-Fock calculations of periodic systemsPhysical Review B, 1983
- Convergence problem in ab initio crystal orbital calculationsInternational Journal of Quantum Chemistry, 1981
- Hartree-Fock density of states for extended systemsPhysical Review B, 1979
- An efficient procedure to evaluate long‐range coulombic interactions within the framework of the LCAO–CO method for infinite polymersInternational Journal of Quantum Chemistry, 1978
- L'Etude Théorique des Systèmes Périodiques. I. La Méthode LCAO-HCOInternational Journal of Quantum Chemistry, 1967
- L'Étude Théorique des Systèmes Périodiques. II. La Méthode LCAO-SCF-COInternational Journal of Quantum Chemistry, 1967
- Self-Consistent-Field Tight-Binding Treatment of Polymers. I. Infinite Three-Dimensional CasePhysical Review B, 1967