Atomic Orbitals from Molecular Wave Functions: The Effective Minimal Basis
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (15) , 6249-6257
- https://doi.org/10.1021/jp952779i
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Non-orthogonal localized orbitals and orthogonal atomic hybrids derived from Mulliken's population analysisChemical Physics Letters, 1995
- Covalent Bond Orders and Atomic Valence Indices in the Topological Theory of Atoms in MoleculesThe Journal of Physical Chemistry, 1994
- A fast intrinsic localization procedure applicable for a b i n i t i o and semiempirical linear combination of atomic orbital wave functionsThe Journal of Chemical Physics, 1989
- Intermolecular interactions from a natural bond orbital, donor-acceptor viewpointChemical Reviews, 1988
- Natural population analysisThe Journal of Chemical Physics, 1985
- Quantum Theory of Atoms in Molecules–Dalton RevisitedPublished by Elsevier ,1981
- Natural hybrid orbitalsJournal of the American Chemical Society, 1980
- Quantum theory of chemical valence conceptsMolecular Physics, 1974
- Uniform Localization of Atomic and Molecular Orbitals. IThe Journal of Chemical Physics, 1967
- Some Recent Advances in Density Matrix TheoryReviews of Modern Physics, 1960