Use of-dependent pseudopotentials in the study of alkali-metal-atom—He systems. The adiabatic molecular potentials
- 1 August 1983
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 28 (2) , 632-644
- https://doi.org/10.1103/physreva.28.632
Abstract
Molecular-structure calculations have been performed to obtain the adiabatic potentials for ground state and numerous excited states of alkali-metal—He systems. They use -dependent pseudopotentials defined from spectroscopy data or scattering data to describe the and -He interactions (where is any alkali-metal atom). Standard variational calculations are made, and a large basis set of Slater-type orbitals is used in order to ensure accuracy and stability of the results. Our results are discussed along with comparisons with other theoretical and experimental data. The overall agreement which has been obtained with all available experimental data indicates that significant improvements in the calculation of the -He adiabatic potentials have been achieved by using an -dependent pseudopotential technique.
Keywords
This publication has 44 references indexed in Scilit:
- Model potential calculations for the KHe and KNe molecular systems: comparison with the predictions of the asymptotic methodsJournal of Physics B: Atomic and Molecular Physics, 1982
- Improved model calculations for the alkali–rare gas interactionThe Journal of Chemical Physics, 1980
- Adiabatic Potentials of the Alkali-Rare Gas Atom PairsZeitschrift für Naturforschung A, 1979
- Model potential calculations of the Na-He systemJournal of Physics B: Atomic and Molecular Physics, 1979
- Model-Potential Calculations on the Molecular System NaNePhysical Review Letters, 1978
- A b i n i t i o calculations for the X 2Σ, A 2Π, and B 2Σ states of NaAr: Emission spectra and cross sections for fine-structure transitions in Na–Ar collisionsThe Journal of Chemical Physics, 1977
- Excited molecular terms of the alkali-rare gas atom pairsThe Journal of Chemical Physics, 1974
- Avoided crossings among the excited states of Na HeChemical Physics Letters, 1973
- Interaction Energy Curves of LiHe and NaHe (X 2Σ+, A 2Π, B 2Σ+) and X 1Σ+ IonsThe Journal of Chemical Physics, 1971
- Semiempirical, Pseudopotential Calculation of Alkali–Noble-Gas Interatomic PotentialsThe Journal of Chemical Physics, 1969