Ab Initio Calculation of One‐Center Integrals of Semiempirical Theories of Valence
- 1 January 1980
- journal article
- research article
- Published by Wiley in Israel Journal of Chemistry
- Vol. 19 (1-4) , 99-108
- https://doi.org/10.1002/ijch.198000010
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- MNDO parameters for third period elementsJournal of the American Chemical Society, 1978
- Effective valence shell interactions in carbon, nitrogen, and oxygen atomsThe Journal of Chemical Physics, 1975
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- Ab initio evaluation of correlation contributions to the true π-electron Hamiltonian: EthyleneThe Journal of Chemical Physics, 1974
- Ground states of molecules. XXII. Incorporation of partial configuration interaction in MINDO [modified intermediate neglect of differential overlap]/2 and its application to bond dissociation energies and sigmatropic rearrangementsJournal of the American Chemical Society, 1972
- Ground states of .sigma.-bonded molecules. XVII. Fluorine compoundsJournal of the American Chemical Society, 1972
- A Linked Diagram Treatment of Configuration Interaction in Open‐Shell AtomsPublished by Wiley ,1969
- Linked-Cluster Expansions for the Nuclear Many-Body ProblemReviews of Modern Physics, 1967
- The evaluation of the one-centre integrals in the semi-empirical molecular orbital theoryMolecular Physics, 1966
- Quantentheoretische Beitr ge zum BenzolproblemThe European Physical Journal A, 1931