New algebraic formulation of density functional calculation

• 1 June 2000
• journal article
• Published by Elsevier in Computer Physics Communications
• Vol. 128  (1-2) , 1-45
• https://doi.org/10.1016/s0010-4655(00)00072-2

Abstract

Keywords

• 71.15.-M
• 71.15.AP
• 71.15.FV
• 71.15.HX
• DENSITY-FUNCTIONAL THEORY
• AB INITIO CALCULATIONS
• ELECTRONIC STRUCTURE METHODS
• ELECTRONIC STRUCTURE CALCULATIONS
• HIGH PERFORMANCE COMPUTING
• PARALLEL COMPUTING
• COMPUTER LANGUAGES

All Related Versions

• Version 1, 1999-09-09, ArXiv
• Version 2, 1999-09-28, ArXiv
• Version 3, 2000-05-11, ArXiv