Published September 14, 2006 | Version v1
Journal article

Subshell momentum splitting and double-zeta description of many-electron atoms

  • 1. Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan)

Description

When two subshell electrons are considered simultaneously in many-electron atoms, the average subshell momentum (p)nl splits into two different momenta, low momentum (p<)nl and high momentum (p>)nl, where n and l are the principal and azimuthal quantum numbers. For the 102 atoms He through Lr in their ground states, the momenta (p<)nl and (p>)nl, as well as the momentum separation (|p1 - p2|)nl, are systematically examined at the Hartree-Fock limit level. For a subshell nl, two exponents ζnl<(est) and ζnl>(est) estimated from the low and high momenta have good linear correlations with variationally determined exponents ζnl<(var) and ζnl>(var) used in the double-zeta description of atoms with Slater-type basis functions

Availability note (English)

Available online at http://stacks.iop.org/0953-4075/39/3541/b6_17_011.pdf or at the Web site for the Journal of Physics. B, Atomic, Molecular and Optical Physics (ISSN 1361-6455) http://www.iop.org/

Additional details

Publishing Information

Journal Title
Journal of Physics. B, Atomic, Molecular and Optical Physics
Journal Volume
39
Journal Issue
17
Journal Page Range
p. 3541-3548
ISSN
0953-4075
CODEN
JPAPEH

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
38014596
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; CORRELATIONS; ELECTRONS; GROUND STATES; HARTREE-FOCK METHOD; QUANTUM NUMBERS
Descriptors DEC
APPROXIMATIONS; CALCULATION METHODS; ELEMENTARY PARTICLES; ENERGY LEVELS; FERMIONS; LEPTONS