Accurate ab initio calculations for the ground states of N2, O2 and F2
- 17 April 1987
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 135 (6) , 543-548
- https://doi.org/10.1016/0009-2614(87)85208-9
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- The effect of bond functions on dissociation energiesChemical Physics Letters, 1985
- Numerical MC SCF and CI calculations of the ground-state potential energy curve of N2Chemical Physics Letters, 1985
- The impact of higher polarization basis functions on molecular AB initio results II. The ground states of CO, N2, O2, and F2Chemical Physics, 1985
- The effect of bond functions on molecular dissociation energiesChemical Physics Letters, 1984
- The externally contracted CI method applied to N2International Journal of Quantum Chemistry, 1983
- All-electron relativistic calculations on silver hydride. An investigation of the Cowan-Griffin operator in a molecular speciesThe Journal of Physical Chemistry, 1983
- A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approachChemical Physics, 1980
- A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF MethodPhysica Scripta, 1980
- Approximate relativistic corrections to atomic radial wave functions*Journal of the Optical Society of America, 1976
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970