SCOPUS 정보 검색 플랫폼

Volumn 135, Issue 3, 2001, Pages 348-376

A Projector Augmented Wave (PAW) code for electronic structure calculations, Part II: pwpaw for periodic solids in a plane wave basis

(3) Tackett, A R a Holzwarth, N A W b Matthews, G E b

a VANDERBILT UNIVERSITY (United States)

b WAKE FOREST UNIVERSITY (United States)

Author keywords

Calculational methods; Density functional calculation; Electronic structure calculations; Local density approxcimation; PAW; Projector Augmented Wave method

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; COMPUTER SIMULATION; COMPUTER SOFTWARE; MOLECULAR DYNAMICS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

BORN-OPPENHEIMER APPROXIMATION; LOCAL DENSITY APPROXIMATION; SOFTWARE PACKAGE PROJECTOR AUGMENTED WAVE (PAW);

ELECTRONIC STRUCTURE;

EID: 0035871323 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-4655(00)00241-1 Document Type: Article

Times cited : (119)

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