Comment on the Luken-Sinanoǧlu paper "Theory of atomic structures including electron correlation. V. Excited states not lowest of their symmetry and oscillator strengths in neutral and singly ionized atoms"
- 1 September 1978
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 18 (3) , 1307-1312
- https://doi.org/10.1103/physreva.18.1307
Abstract
A recent paper by Luken and Sinanoǧlu (Phys. Rev. A 13 1293, 1976) has criticized some of our work and contains material on excited states and oscillator strengths. We suggest that satisfaction of upper boundedness via the Hylleraas-Undheim-MacDonald theorem is neither a sufficient nor a necessary condition for obtaining reasonably accurate oscillator strengths. Our method for truncated Hamiltonian matrices which chooses the root which minimizes the energy as well as the correlation overlap in fact yielded upper bounds and did not suffer a "variational collapse." We point out that for excited valence states embedded in Rydberg or continuum series, the values are very sensitive to (a) choice of basis sets and (b) Relative position of diagonal matrix elements. The Ni , Bi , Ci transitions serve as examples.
Keywords
This publication has 34 references indexed in Scilit:
- Oscillator strengths for transitions involving excited states not lowest of their symmetry: Carbon I and fluorine II transitionsThe Journal of Chemical Physics, 1976
- Oscillator strengths for transitions involving excited states not lowest of their symmetry: NitrogenI and nitrogenII transitionsThe Journal of Chemical Physics, 1976
- Theory of atomic structures including electron correlation. V. Excited states not lowest of their symmetry and oscillator strengths in neutral and singly ionized atomsPhysical Review A, 1976
- Oscillator strengths for transitions involving excited states not lowest of their symmetry oxygen I and oxygen II transitionsThe Journal of Chemical Physics, 1976
- Theory and calculation of excited-state wave functions and propertiesInternational Journal of Quantum Chemistry, 1976
- Theory of “Non-Stationary” states in many-electron atomsNuclear Instruments and Methods, 1973
- Beam-foil spectroscopy and new atomic structure theory with a survey of results since 1970Nuclear Instruments and Methods, 1973
- Theory of Atomic Structure Including Electron Correlation. IV. Method for Forbidden-Transition Probabilities with Results for [O I], [O II], [O III], [N I], [N II], and [C I].Physical Review A, 1971
- Theory of Atomic Structure Including Electron Correlation. II. All-External Pair Correlations in the Various States and Ions of B, C, N, O, F, Ne, and Na, and Prediction of Electron Affinities and Atomic Excitation EnergiesPhysical Review B, 1969
- Theory of Atomic Structure Including Electron Correlation. I. Three Kinds of Correlation in Ground and Excited ConfigurationsPhysical Review B, 1969