Ab initio calculation of orthogonal parameters for complex configurations using B-splines
- 14 May 1990
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic, Molecular and Optical Physics
- Vol. 23 (9) , L121-L127
- https://doi.org/10.1088/0953-4075/23/9/001
Abstract
An ab initio second-order calculation of the parameter values corresponding to the five orthogonal two-electron operators which can describe the term structure of a pd configuration to infinite order has been carried out for the 2p3d configuration in O III. The second-order contributions to the parameters from eight single and double excitations have been calculated including the contributions from all bound and continuum states.Keywords
This publication has 11 references indexed in Scilit:
- Parametric fitting with orthogonal operatorsPhysica Scripta, 1988
- Structural content of orthogonal operators for pNd configurationsJournal of Physics B: Atomic, Molecular and Optical Physics, 1988
- Finite basis sets for the Dirac equation constructed fromBsplinesPhysical Review A, 1988
- Parametric fitting to 2pN3d configurations using orthogonal operatorsJournal of Physics B: Atomic and Molecular Physics, 1987
- Second-order energies and third-order matrix elements of alkali-metal atomsPhysical Review A, 1987
- Computation of Second-Order Many-Body Corrections in Relativistic Atomic SystemsPhysical Review Letters, 1986
- Orthogonal scalar operators for pNd and pdNJournal of Physics B: Atomic and Molecular Physics, 1985
- Parametric fits in the atomic d shellJournal of Physics B: Atomic and Molecular Physics, 1982
- A general multi-configuration Hartree-Fock programComputer Physics Communications, 1978
- Remarks on Brillouin's theorem in the atomic variational approachJournal of Physics B: Atomic and Molecular Physics, 1972