Continuum wavefunctions calculations with least-squares schemes in a B-splines basis
- 30 September 1992
- journal article
- Published by Elsevier in Computer Physics Communications
- Vol. 71 (3) , 207-214
- https://doi.org/10.1016/0010-4655(92)90009-n
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Variational approach to continuum orbitals in a spline basis: An application to H2+ photoionizationChemical Physics, 1992
- Total (Elastic Plus Inelastic) Cross-Sections for Electron Scattering with CF 4 and GeH 4 Molecules at (10 ÷ 5000) eVEurophysics Letters, 1992
- Photoionization of two-electron atoms using a nonvariational configuration-interaction approach with discretized finite basisPhysical Review A, 1991
- Spline algorithms for the hartree-fock equation for the helium ground stateJournal of Computational Physics, 1990
- Spline methods for resonances in photoionisation cross sectionsJournal of Physics B: Atomic, Molecular and Optical Physics, 1990
- Spline algorithms for continuum functionsComputers in Physics, 1989
- Pseudospherical integration scheme for electronic-structure calculationsPhysical Review B, 1989
- A multicenter numerical integration scheme for polyatomic moleculesThe Journal of Chemical Physics, 1988
- Three‐dimensional numerical integration for electronic structure calculationsInternational Journal of Quantum Chemistry, 1988
- Molecular photoionization cross sections and asymmetry parameters by L2 basis functions calculations: H2OThe Journal of Chemical Physics, 1986