Variational Perturbation Theory Study of Some Excited States of Two-Electron Atoms
- 1 April 1970
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (7) , 3324-3336
- https://doi.org/10.1063/1.1673492
Abstract
The Hylleraas–Scherr–Knight variational perturbation method has been applied to the two‐electron states and . The calculations have been carried through to 20th‐order wavefunctions, with 96‐, 126‐, and 162‐term expansions of the Hylleraas type, thus yielding estimates of the energy through the 41st order. The perturbation energy coefficients are tabulated through the 21st order for the states , and , and the corresponding nonrelativistic energies are presented for the first 10 elements of the helium isoelectronic sequence, with the exception of H− to which the perturbation expansions do not apply. Where comparison is possible, our results are in fair agreement with those obtained from conventional variational calculations. A survey of the variational perturbation procedure is also given, presenting the basic formulas and phrasing two important theorems.
Keywords
This publication has 12 references indexed in Scilit:
- Perturbation Study of Some Excited States of Two-Electron AtomsPhysical Review B, 1969
- Logarithmic Terms in the Wave Functions of theandStates of Two-Electron AtomsPhysical Review B, 1967
- ,, andStates of He and theState ofPhysical Review B, 1965
- Perturbation-Theory Expansions Through 21st Order of the Nonrelativistic Energies of the Two-Electron SystemsandPhysical Review B, 1965
- Two-Electron Atoms III. A Sixth-Order Perturbation Study of theGround StateReviews of Modern Physics, 1963
- Two-Electron Atoms II. A Perturbation Study of Some Excited StatesReviews of Modern Physics, 1963
- Two-Electron Atoms. I. Perturbation Study of the Ground StatePhysical Review B, 1962
- ExcitedStates of HeliumPhysical Review B, 1962
- Numerische Berechnung der 2S-Terme von Ortho- und Par-HeliumThe European Physical Journal A, 1930
- ber den Grundterm der Zweielektronenprobleme von H?, He, Li+, Be++ usw.The European Physical Journal A, 1930