Accurate second‐order correlation energies for Mg and Ar
- 1 January 1993
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 45 (6) , 563-572
- https://doi.org/10.1002/qua.560450607
Abstract
A p‐version finite element method has been used to calculate second‐order pair and total correlation energies for closed‐shell Mg and Ar. Comparison with the best results found in the literature suggests that the present values are the most accurate and that the method should perform comparatively better for heavier elements. © 1993 John Wiley & Sons, Inc.Keywords
This publication has 39 references indexed in Scilit:
- Modem Techniques in Computational Chemistry: MOTECC-91Published by Springer Nature ,1991
- Basis set selection for molecular calculationsChemical Reviews, 1986
- Application of symmetry-adapted pair functions in atomic structure calculations. II. Third-order correlation energy of the neon atomPhysical Review A, 1982
- Second-order correlation energies for , , , and : dependence of irreducible-pair energiesPhysical Review A, 1980
- Application of symmetry-adapted pair functions in atomic structure calculations: A variational-perturbation treatment of the Ne atomPhysical Review A, 1980
- Second-order correlation energies of Mg and ArJournal of Physics B: Atomic and Molecular Physics, 1979
- Atomic correlation energies. IV. Perturbations and near degeneracyJournal of Physics B: Atomic and Molecular Physics, 1978
- Atomic correlation energies. III. Second-order corrections to the Hartree-Fock ground state of B, C, N, O and FJournal of Physics B: Atomic and Molecular Physics, 1978
- Atomic correlation energies. II. Converged E(2)values for Ne and Ne+Journal of Physics B: Atomic and Molecular Physics, 1978
- Atomic correlation energies. I. Rigorous evaluation of E(2)for He, Li and BeJournal of Physics B: Atomic and Molecular Physics, 1978