Linear scaling electronic structure methods in chemistry and physics

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.

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Bibliographic Details
Published inComputing in science & engineering Vol. 5; no. 4; pp. 14 - 21
Main Authors Goedecker, S., Scuserza, G.E.
Format Journal Article
LanguageEnglish
Published New York IEEE 01.07.2003
The Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subjects
Algorithms
Atomic measurements
Chemicals
Chemistry
Computation
Computer programs
Electronic structure
Electrons
Mathematical analysis
Mathematics
Mechanical factors
Physics computing
Quantum computing
Quantum mechanics
Schrodinger equation
Scientists
Software
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Summary: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.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:1521-9615
1558-366X
DOI:10.1109/MCISE.2003.1208637