A “direct” time-dependent coupled perturbed Hartree—Fock—Roothaan approach to calculate molecular (hyper)polarizabilities
- 29 October 1993
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 214 (2), 186-192
- https://doi.org/10.1016/0009-2614(93)90079-g
Abstract
No abstract availableThis publication has 19 references indexed in Scilit:
- Ab initio calculation of magnetic properties by the “direct” IGLO methodJournal of Computational Chemistry, 1992
- Strategies for electron correlation calculations on large molecular systemsInternational Journal of Quantum Chemistry, 1992
- Ab initio methods for large systemsInternational Journal of Quantum Chemistry, 1991
- Exploiting non-abelian point group symmetry in direct two-electron integral transformationsTheoretical Chemistry Accounts, 1991
- Electronic structure calculations on workstation computers: The program system turbomoleChemical Physics Letters, 1989
- Avoiding the integral storage bottleneck in LCAO calculations of electron correlationChemical Physics Letters, 1989
- Improvements on the direct SCF methodJournal of Computational Chemistry, 1989
- MP2 energy evaluation by direct methodsChemical Physics Letters, 1988
- Frequency dependent nonlinear optical properties of moleculesThe Journal of Chemical Physics, 1986
- Principles for a direct SCF approach to LICAO–MOab‐initio calculationsJournal of Computational Chemistry, 1982