Spline-Galerkin methods for Rydberg series, including Breit-Pauli effects
- 28 November 1994
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic, Molecular and Optical Physics
- Vol. 27 (22) , 5467-5484
- https://doi.org/10.1088/0953-4075/27/22/007
Abstract
We discuss the recently introduced spline-Galerkin method for Rydberg series of atomic systems, and extend it to Breit-Pauli configuration interaction calculations. Special emphasis is put on the efficient evaluation of the different radial integrals appearing in these calculations. An application to the 1De series of beryllium illustrates the potential of the method in the non-relativistic case. A Breit-Pauli calculation for the J=1 odd Rydberg series above the lowest 4s2S limit of calcium is reported. The resulting energies agree very well with recent experiments.Keywords
This publication has 45 references indexed in Scilit:
- Spline–Galerkin calculations for Rydberg series of calciumPhysica Scripta, 1994
- Orthogonality constraints in finite basis set calculationsJournal of Physics B: Atomic, Molecular and Optical Physics, 1994
- Non-variational, spline-Galerkin calculations of resonance positions and widths, and photodetachment and photo-ionization cross sections for H-and HeJournal of Physics B: Atomic, Molecular and Optical Physics, 1992
- Continuum wavefunctions calculations with least-squares schemes in a B-splines basisComputer Physics Communications, 1992
- Variational approach to continuum orbitals in a spline basis: An application to H2+ photoionizationChemical Physics, 1992
- Photoionization of two-electron atoms using a nonvariational configuration-interaction approach with discretized finite basisPhysical Review A, 1991
- Relativistic theory of fermions and classical fields on a collocation latticeAnnals of Physics, 1987
- An approximate treatment of intra-atomic correlation in Hartree-Fock calculations: the Hg2(X1Σg+) potentialJournal of Physics B: Atomic and Molecular Physics, 1977
- Spline bases for atomic calculationsThe Journal of Chemical Physics, 1976
- Absorption spectrum of Ca i in the 1580–2090-Å regionJournal of the Optical Society of America, 1973