Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions
- 1 January 1995
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 90 (2-3), 87-114
- https://doi.org/10.1007/bf01113842
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- 3p—3d intershell correlation effects in transition metal ionsChemical Physics Letters, 1993
- Systematic ab initio study of the ligand field spectra of hexacyanometalate complexesThe Journal of Physical Chemistry, 1993
- Is chromium hexafluoride octahedral? Theory confirms "yes!"Inorganic Chemistry, 1992
- Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functionsTheoretical Chemistry Accounts, 1991
- Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functionsTheoretical Chemistry Accounts, 1990
- Basis set quality vs size. Approximate Gaussian-type orbital (GTO) wave functions for first row transition metal atomsThe Journal of Chemical Physics, 1987
- General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atomsThe Journal of Chemical Physics, 1987
- Binding Energies in Atomic Negative Ions: IIJournal of Physical and Chemical Reference Data, 1985
- Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitivesThe Journal of Chemical Physics, 1979
- Constants of diatomic moleculesPublished by Springer Nature ,1979