Extension of quasiclassical effective Hamiltonian structure of atoms through Z=94

Journal Article · Mon Jun 01 04:00:00 EDT 1998 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.57.4964· OSTI ID:634222

Cohen, J S ^[1]

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1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

The ground states of all atoms (through Z=94) and their first and second ions have been calculated using the Kirschbaum-Wilets (KW) quasiclassical, many-body atomic model [Phys. Rev. A {bold 21}, 834 (1980)]. The present calculations allow the atoms to be in any spin state. The results essentially agree with previous calculations, done for atoms and their first ions with Z=1 to 38 [Phys. Rev. A {bold 51}, 266 (1995)], which constrained the atoms to minimal-total-spin configurations (S=0 or (1)/(2)). The KW model is shown to be similarly valid for the heavier atoms. However, it is found that a number of the heavier atoms and ions have KW ground states with nonminimal total spins (S=1 or (3)/(2)). {copyright} {ital 1998} {ital The American Physical Society}

• OSTI ID: 634222
• Journal Information: Physical Review A, Journal Name: Physical Review A Journal Issue: 6 Vol. 57; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ATOMS
ELECTRONIC STRUCTURE
GROUND STATES
HAMILTONIANS
QUANTUM MECHANICS
SPIN