NDDO‐Based CI Methods for the Prediction of Electronic Spectra and Sum‐Over‐States Molecular Hyperpolarization
- 1 January 1993
- journal article
- research article
- Published by Wiley in Israel Journal of Chemistry
- Vol. 33 (4) , 435-448
- https://doi.org/10.1002/ijch.199300050
Abstract
No abstract availableKeywords
This publication has 26 references indexed in Scilit:
- Post-SCF methods: Theory and PracticePublished by Springer Nature ,1991
- Optimization of parameters for semiempirical methods I. MethodJournal of Computational Chemistry, 1989
- Correction. Mechanism of the Azulene to Napthalene RearrangementJournal of the American Chemical Society, 1986
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- The MNDOC method, a correlated version of the MNDO modelJournal of the American Chemical Society, 1981
- Origin of the nonlinear second-order optical susceptibilities of organic systemsPhysical Review A, 1979
- Second-order hyperpolarizability of p-nitroaniline calculated from perturbation theory based expression using CNDO/S generated electronic statesChemical Physics Letters, 1979
- Ground states of molecules. 38. The MNDO method. Approximations and parametersJournal of the American Chemical Society, 1977
- Approximate Self-Consistent Molecular Orbital Theory. I. Invariant ProceduresThe Journal of Chemical Physics, 1965
- Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron CorrelationsThe Journal of Chemical Physics, 1962