Quasiclassical effective Hamiltonian structure of atoms with [ital Z]=1 to 38

Journal Article · Sun Jan 01 04:00:00 EST 1995 · Physical Review A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.52.266· OSTI ID:6702874

Cohen, J S ^[1]

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

The Kirschbaum-Wilets quasiclassical, many-body atomic model [Phys. Rev. A 21, 834 (1980)] is applied to atoms and ions having 1[le][ital Z][le]38. An efficient method was found to search for the global minimum of the energy functional. A quasiclassical shell structure is shown to result from the Hamiltonian formulation in terms of momentum-dependent potentials representing quantum-mechanical effects codified in the Heisenberg and Pauli principles. Along with ionization and correlation energies, the ground-state configurations are presented for use as initial conditions in various dynamical calculations.

• OSTI ID: 6702874
• Journal Information: Physical Review A; (United States), Journal Name: Physical Review A; (United States) Vol. 51:1; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

664100* -- Theory of Electronic Structure of Atoms & Molecules-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ATOMIC MODELS
CORRELATIONS
ELECTRON CORRELATION
ENERGY
ENERGY LEVELS
GROUND STATES
HAMILTONIANS
IONIZATION
MANY-BODY PROBLEM
MATHEMATICAL MODELS
MATHEMATICAL OPERATORS
NUCLEAR MODELS
PAULI PRINCIPLE
POTENTIAL ENERGY
QUANTUM OPERATORS
SEMICLASSICAL APPROXIMATION
SHELL MODELS
UNCERTAINTY PRINCIPLE