Tables of accurate STF HF wavefunctions from B to Ca
- 1 April 1987
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 71 (2) , 149-167
- https://doi.org/10.1007/bf00526414
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Toward accurate STO SCF wavefunctions. (
5 4 ) sets from Li to NeChemical Physics Letters, 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
- On Raffenetti-type atomic basis setThe Journal of Chemical Physics, 1979
- A family of STO atomic basis setsThe Journal of Chemical Physics, 1977
- Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition-metal atomsThe Journal of Chemical Physics, 1977
- Even-tempered atomic orbitals. II. Atomic SCF wavefunctions in terms of even-tempered exponential basesThe Journal of Chemical Physics, 1973
- Even-tempered representations of atomic self-consistent-field wavefunctionsPublished by Office of Scientific and Technical Information (OSTI) ,1973
- Hartree-Fock Wavefunctions of Nominal Accuracy for He through Rb+ Calculated by the Expansion MethodThe Journal of Chemical Physics, 1972
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966
- Tables of Atomic FunctionsIBM Journal of Research and Development, 1965