Excitation energies and oscillator strengths of CaI using multireference many-body perturbation theory

Citation
S. Majumder et al., Excitation energies and oscillator strengths of CaI using multireference many-body perturbation theory, PHYS REV A, 59(5), 1999, pp. 3432-3439
Citations number
32
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
59
Issue
5
Year of publication
1999
Pages
3432 - 3439
Database
ISI
SICI code
1050-2947(199905)59:5<3432:EEAOSO>2.0.ZU;2-#
Abstract
Excitation energies and oscillator strengths of neutral calcium (Ca I) are calculated through third order using a variant of the multireference many-b ody perturbation theory, known as the effective valence-shell Hamiltonian ( H-v) method. Transition energies, oscillator strengths, and binding energie s of various states are computed and compared with experimental and other t heoretical data. These quantities are in favorable agreement with the exper iment and other correlated calculations. The basis and valence space depend ence of the H-v scheme are addressed with some illustrative examples. [S105 0-2947(99)06905-X].