The determination of hyperpolarisabilities using density functional theory
- 1 July 1993
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 210 (1-3), 261-268
- https://doi.org/10.1016/0009-2614(93)89131-z
Abstract
No abstract availableThis publication has 29 references indexed in Scilit:
- Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energiesThe Journal of Chemical Physics, 1992
- The calculation of frequency-dependent polarizabilities as pseudo-energy derivativesThe Journal of Chemical Physics, 1991
- Frequency dependent hyperpolarizabilities with application to formaldehyde and methyl fluorideThe Journal of Chemical Physics, 1990
- Coupled cluster response functionsThe Journal of Chemical Physics, 1990
- New algorithm for the optimization of geometries in local density functional theoryChemical Physics Letters, 1990
- Numerical solution of Schrödinger’s equation in polyatomic moleculesThe Journal of Chemical Physics, 1990
- Correlated van der Waals coefficients for dimers consisting of He, Ne, H2, and N2The Journal of Chemical Physics, 1988
- Hyperpolarizabilities of the hydrogen fluoride molecule: A discrepancy between theory and experiment?The Journal of Chemical Physics, 1986
- Dynamic polarizabilities and raman intensities of CO, N2, HCl and Cl2Chemical Physics, 1982
- Relativistic effects on bondingThe Journal of Chemical Physics, 1981