Published May 14, 1978 | Version v1
Journal article

Ground-state energy of any atom

Creators

  • 1. Maryland Univ., College Park (USA). Dept. of Physics and Astronomy

Description

An extremely simplified version of the atomic shell model is used to obtain an explicit parameter-free approximation to the ground-state energy Esub(tot)(Z) of any atom. The resultant values of Esub(tot)(Z) agree to within a few per cent with those obtained from Hartree-Fock calculations for any Z in the Z = 2 to Z = 102, the agreement being of the order of 0.5% or better for Z > 45. This is an order of magnitude better than Thomas-Fermi (TF) theory in this range. For Z → infinity, where TF theory becomes exact (Lieb-Simon theorem), it is found that /r-1sub(j)> → 2/7, which is the exact TF value, and Esub(tot) approximately -CZsup(7/3) with C = 0.74, which is within 4% of Csub(exact) = 0.77. (author)

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Physics B: Atomic and Molecular Physics
Journal Volume
11
Journal Issue
9
Series
J. Phys., B (London). At. Mol. Phys.
Journal Page Range
1515-1520
ISSN
0022-3700

INIS

Country of Publication
United Kingdom
Country of Input or Organization
United Kingdom
INIS RN
9405598
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ACCURACY; ANALYTICAL SOLUTION; ATOMIC MODELS; ATOMS; COMPARATIVE EVALUATIONS; ELECTRONIC STRUCTURE; ENERGY; GROUND STATES; HARTREE-FOCK METHOD; MASS NUMBER; SLATER METHOD; THOMAS-FERMI MODEL
Descriptors DEC
ENERGY LEVELS; MATHEMATICAL MODELS

Optional Information

Notes
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