Corrigendum to “Total-energy calculations on a real space grid with localised functions and a plane-wave basis” [Comput. Phys. Comm. 147/3 (2002) 788–802] (Computer Physics Communications (2002) 147(3) (788–802), (S0010465502004617), (10.1016/S0010-4655(02)00461-7));Total-energy calculations on a real space grid with localized functions and a plane-wave basis

Computer Physics Communications

Volumn 147, Issue 3, 2002, Pages 788-802

  Mostofi, Arash A ^a   Skylaris, Chris Kriton ^a   Haynes, Peter D ^a   Payne, Mike C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Density functional theory; Electronic structure; FFT; Linear scaling; Systematic basis set

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; FAST FOURIER TRANSFORMS; FUNCTIONS; KINETIC ENERGY; PROBABILITY DENSITY FUNCTION; SET THEORY; VARIATIONAL TECHNIQUES;

DENSITY FUNCTIONAL THEORY (DFT);

ELECTRONIC STRUCTURE;

EID: 0036716793     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2020.107232     Document Type: Erratum

References (27)