DocumentCode
1230174
Title
Linear scaling electronic structure methods in chemistry and physics
Author
Goedecker, Stefan ; Scuserza, G.E.
Author_Institution
CEA, Grenoble, France
Volume
5
Issue
4
fYear
2003
Firstpage
14
Lastpage
21
Abstract
Calculating the electronic structure of large atomistic systems requires algorithms that scale linearly with system size. Efficient implementations of these emerging algorithms provide scientists in various fields with powerful software tools to address challenging problems.
Keywords
HF calculations; Schrodinger equation; Wannier functions; computational complexity; density functional theory; physics computing; sparse matrices; tight-binding calculations; wave functions; electronic structure; electronic structure computational methods; emerging algorithms; large atomistic systems; low-complexity algorithms; powerful software tools; Atomic measurements; Chemicals; Chemistry; Electrons; Mathematics; Mechanical factors; Physics computing; Quantum computing; Quantum mechanics; Schrodinger equation;
fLanguage
English
Journal_Title
Computing in Science & Engineering
Publisher
ieee
ISSN
1521-9615
Type
jour
DOI
10.1109/MCISE.2003.1208637
Filename
1208637
Link To Document