CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry

Computer Physics Communications

Volumn 185, Issue 6, 2014, Pages 1501-1514

  Wouters, Sebastian ^a   Poelmans, Ward ^a   Ayers, Paul W ^b   Van Neck, Dimitri ^a  

^a GHENT UNIVERSITY   (Belgium)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

Ab initio quantum chemistry; Abelian point group symmetry; Density matrix renormalization group; Matrix product state; SU(2) spin symmetry

Indexed keywords

C++ (PROGRAMMING LANGUAGE); CARBON; COMPUTER OPERATING SYSTEMS; DIMERS; DISSOCIATION; ELECTRONIC STRUCTURE; ELECTRONS; LINUX; MICROPROCESSOR CHIPS; OPEN SOURCE SOFTWARE; POINT GROUPS; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; QUANTUM OPTICS; STATISTICAL MECHANICS; TENSORS;

AB INITIO QUANTUM CHEMISTRY; DENSITY MATRIX RENORMALIZATION GROUP; MATRIX PRODUCT STATE; POINT GROUP SYMMETRY; SPIN SYMMETRY;

MATRIX ALGEBRA;

EID: 84901231728     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2014.01.019     Document Type: Review

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