Relativistic well-tempered gaussian basis sets
- 23 October 1987
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 140 (6) , 567-571
- https://doi.org/10.1016/0009-2614(87)80488-8
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Relativistic Gaussian basis sets for the atoms hydrogen to neonTheoretical Chemistry Accounts, 1986
- A systematic study of basis set effects in a b i n i t i o SCF calculations: Well-tempered Gaussian-type function basis set calculations on transition metal halidesThe Journal of Chemical Physics, 1986
- The well-tempered GTF basis set and the ab initio molecular calculationJournal of Molecular Structure: THEOCHEM, 1986
- Well-tempered GTF basis sets for the atoms K through χeChemical Physics Letters, 1985
- The well-tempered GTF basis sets and their applications in the SCF calculations on N2, CO, Na2, and P2Canadian Journal of Chemistry, 1985
- Kinetically balanced calculations on relativistic many-electron atomsChemical Physics Letters, 1985
- Kinetic balance: A partial solution to the problem of variational safety in Dirac calculationsThe Journal of Chemical Physics, 1984
- Dirac-Fock discrete-basis calculations on the beryllium atomChemical Physics Letters, 1983
- Analytical Dirac-Fock SCF Method for Generalized Average Energy of ConfigurationsJournal of the Physics Society Japan, 1982
- Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120Atomic Data and Nuclear Data Tables, 1973