A divide-and-conquer method with approximate Fermi levels for parallel computations

Theoretical Chemistry Accounts

Volumn 134, Issue 5, 2015, Pages

  Yoshikawa, Takeshi ^a,b,c   Nakai, Hiromi ^a,b,c  

^a WASEDA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c KYOTO UNIVERSITY   (Japan)

Author keywords

Common Fermi level; Divide and conquer method; Linear scaling computation; Parallel computation; Self consistent field calculation

Indexed keywords

EID: 84928253310     PISSN: 1432881X     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/s00214-015-1650-6     Document Type: Article

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