Point group symmetry and cartesian force constant redundancy
- 1 January 1991
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 39 (1) , 19-29
- https://doi.org/10.1002/qua.560390105
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Analytic energy derivatives in many-body methods. I. First derivativesThe Journal of Chemical Physics, 1989
- Analytic energy derivatives in many-body methods. II. Second derivativesThe Journal of Chemical Physics, 1989
- Computation of quadratic electric dipole moment functionsThe Journal of Chemical Physics, 1988
- Multireference CI gradients and MCSCF second derivativesThe Journal of Chemical Physics, 1984
- Exploiting rotational and translational invariance of the energy in derivative calculations in quantum chemistryChemical Physics Letters, 1984
- Dynamics of liquid state chemical reactions: Modeling of R-dependent correlation functionsThe Journal of Chemical Physics, 1982
- Energy gradient in a multi-configurational SCF formalism and its application to geometry optimization of trimethylene diradicalsChemical Physics Letters, 1979
- Efficient determination and characterization of transition states using ab-initio methodsChemical Physics Letters, 1977
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1970
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969