Published May 14, 1978
| Version v1
Journal article
Ground-state energy of any atom
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
- Updated automatically by Metadata and Full-Text Enrichment Agent