Contracted or uncontracted polarization functions? Comment on Dunning's correlation-consistent basis sets
- 25 July 1997
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 273 (5-6), 345-352
- https://doi.org/10.1016/s0009-2614(97)00613-1
Abstract
No abstract availableKeywords
Funding Information
- Research Foundation for the Electrotechnology of Chubu
- Ministry of Education, Culture, Sports, Science and Technology
- New Energy and Industrial Technology Development Organization
This publication has 19 references indexed in Scilit:
- Benchmark calculations with correlated molecular wave functions. I. Multireference configuration interaction calculations for the second row diatomic hydridesThe Journal of Chemical Physics, 1993
- Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argonThe Journal of Chemical Physics, 1993
- Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functionsThe Journal of Chemical Physics, 1992
- Atomic Natural Orbital (ANO) Basis Sets for Quantum Chemical CalculationsPublished by Elsevier ,1991
- Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenThe Journal of Chemical Physics, 1989
- General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atomsThe Journal of Chemical Physics, 1987
- A systematic preparation of new contracted Gaussian type orbital set. I. Transition metal atoms from Sc to ZnThe Journal of Chemical Physics, 1979
- General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluationThe Journal of Chemical Physics, 1973
- Self-Consistent Molecular Orbital Methods. XIII. An Extended Gaussian-Type Basis for BoronThe Journal of Chemical Physics, 1972
- Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1971