Frozen core hartree-fock program for atomic discrete and continuous states

✍ Scribed by L.V. Chernysheva; N.A. Cherepkov; V. Radojević

• Publisher: Elsevier Science
• Year: 1979
• Tongue: English
• Weight: 978 KB
• Volume: 18
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/0010-4655(79)90026-2

✦ Synopsis

language used: ALGOL 60 particle model, electronic structure, atomic models, wave functions, off-diagonal energy parameters, frozen core High speed storage required: 32 k (approximation), ground state, excited state, single-electron state, discrete state, continuous state, single-configuration No. of bits in a word: 48 approximation, atomic shell, nl-(sub)shell, iteration (iterative process), (many-)electron correlations, electron configuration Overlay structure: none Nature of physical problem The present program calculates the excited state Hartree-Fock (HF) radial wave function of a single-electron in the "frozen core" (FC) field of other electrons. The radial oneelectron wave functions of the "frozen core" are a solution * Supported in part by Serbian Research Funds, Yugoslavia. of the corresponding self-consistent field HF problem [11.