Calculation of harmonic frequencies and harmonic force fields by the hartree-fock-slater method
- 12 March 1988
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 34 (S22) , 173-181
- https://doi.org/10.1002/qua.560340821
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- Density Matrices and Density FunctionalsPublished by Springer Nature ,1987
- Geometry optimization using local density functional methodsThe Journal of Physical Chemistry, 1986
- Geometrical Derivatives of Energy Surfaces and Molecular PropertiesPublished by Springer Nature ,1986
- Numerical Hartree–Fock–Slater calculations on diatomic moleculesThe Journal of Chemical Physics, 1982
- On some approximations in applications of Xα theoryThe Journal of Chemical Physics, 1979
- A new computational approach to Slater’s SCF–Xα equationThe Journal of Chemical Physics, 1975
- Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedureChemical Physics, 1973
- Statistical Exchange-Correlation in the Self-Consistent FieldPublished by Elsevier ,1972
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969
- ``Multiple-Scattering'' Model for Polyatomic MoleculesThe Journal of Chemical Physics, 1966