Linear scaling electronic structure calculations with numerical atomic basis set

International Reviews in Physical Chemistry

Volumn 29, Issue 4, 2010, Pages 665-691

  Shang, Honghui ^a   Xiang, Hongjun ^a,b   Li, Zhenyu ^a   Yang, Jinlong ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b FUDAN UNIVERSITY   (China)

Author keywords

DFT; Electronic structure calculations; Hartree Fock; Linear scaling algorithms; Numerical atomic basis sets; Purification algorithms; Response theory

Indexed keywords

EID: 78449289710     PISSN: 0144235X     EISSN: 1366591X     Source Type: Journal    
DOI: 10.1080/0144235X.2010.520454     Document Type: Article

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