Optimized Gaussian basis sets for Goedecker-Teter-Hutter pseudopotentials

Modelling and Simulation in Materials Science and Engineering

Volumn 17, Issue 1, 2009, Pages

  Zijlstra, Eeuwe S ^a   Huntemann, Nils ^a   Kalitsov, Alan ^a,b   Garcia, Martin E ^a   Von Barth, Ulf ^b  

^a UNIVERSITY OF KASSEL   (Germany)

^b LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; ELECTRONIC STRUCTURE; OLIGOMERS; TIME VARYING SYSTEMS; TRELLIS CODES;

BASIS FUNCTIONS; DENSITY FUNCTIONAL; GAUSSIAN; GAUSSIAN BASIS SETS; GAUSSIANS; ORBITALS; PSEUDOPOTENTIALS; TOTAL ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 63749106431     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/17/1/015009     Document Type: Article

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