EXLAM, a program for the calculation and expansion of local model exchange potentials

EXLAM, a program for the calculation and expansion of local model exchange potentials

Title of program: EXLAM Catalogue Id: AANY_v1_0 Nature of problem The free-electron-gas and semi-classical local model exchange potentials are calculated. The resulting model exchange potential is expanded in Legendre polynomials in a single-center coordinate system. Versions of this program held in...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
1. Verfasser: Weitzel, William F.
Format: Dataset
Sprache:eng
Schlagworte:
Computational Physics
Molecular Physics
Physical Chemistry
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Beschreibung
Zusammenfassung:Title of program: EXLAM Catalogue Id: AANY_v1_0 Nature of problem The free-electron-gas and semi-classical local model exchange potentials are calculated. The resulting model exchange potential is expanded in Legendre polynomials in a single-center coordinate system. Versions of this program held in the CPC repository in Mendeley Data AANY_v1_0; EXLAM; 10.1016/0010-4655(83)90057-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI:10.17632/684mrzfkzd