Single Configuration SCF Second Derivatives on a Cray
- 1 January 1986
- book chapter
- Published by Springer Nature
Abstract
No abstract availableKeywords
This publication has 5 references indexed in Scilit:
- Conformational properties, torsional potential, and vibrational force field for methacryloyl fluoride: An a b i n i t i o investigationThe Journal of Chemical Physics, 1985
- Multireference CI gradients and MCSCF second derivativesThe Journal of Chemical Physics, 1984
- First and second derivatives of two electron integrals over Cartesian Gaussians using Rys polynomialsThe Journal of Chemical Physics, 1984
- Parametrization of molecular orbital transformationsThe Journal of Chemical Physics, 1984
- Efficient determination and characterization of transition states using ab-initio methodsChemical Physics Letters, 1977