A b i n i t i o effective valence Hamiltonian description of electron correlation for the neutral and ion valence states of transition metal atoms
- 1 August 1980
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (3) , 1472-1474
- https://doi.org/10.1063/1.440223
Abstract
Results of second order ab initio effective valence shell. Hamiltonian calculations are reported, where all the valence states of Ti through Ti t+4 are computed simultaneously. The correlation energies of higher lying 4S23dn, 4S3dn+1 and 3dn+2 states and the ground state of Ti are reported. (AIP)Keywords
This publication has 11 references indexed in Scilit:
- One-center integrals of the exact effective valence shell Hamiltonian. Empirical analysis for atomsJournal of the American Chemical Society, 1980
- Perturbation calculation of atomic correlation energies for the first transition periodChemical Physics Letters, 1979
- Generalized perturbation theory of effective valence shell hamiltoniansChemical Physics Letters, 1979
- Ab initio calculation of the effective valence shell hamiltonian of carbon: Simultaneous treatment of neutral and ion statesChemical Physics Letters, 1978
- Oscillator strengths for2S-2P transitions in the copper sequenceJournal of Physics B: Atomic and Molecular Physics, 1977
- Erratum: Nonclassical terms in the true effective valence shell Hamiltonian: A second quantized formalismThe Journal of Chemical Physics, 1977
- Nonclassical terms in the true effective valence shell Hamiltonian: A second quantized formalismThe Journal of Chemical Physics, 1976
- Nonrelativistic configuration interaction calculations for the ground state of the vanadium atomThe Journal of Chemical Physics, 1975
- Roothaan-Hartree-Fock atomic wavefunctionsAtomic Data and Nuclear Data Tables, 1974
- Linked-Cluster Expansions for the Nuclear Many-Body ProblemReviews of Modern Physics, 1967