Advanced search
2 files | 2.24 MB Add to list

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

(2014) COMPUTER PHYSICS COMMUNICATIONS. 185(6). p.1501-1514
Author
Organization
Project
Keywords
MOLECULE, BOND, SPACE, WAVE-FUNCTIONS, ENTANGLEMENT, C-2, QC-DMRG, ALGORITHM, ELECTRONIC STATES, POTENTIAL-ENERGY CURVES, SU(2) spin symmetry, Ab initio quantum chemistry, Density matrix renormalization group, Matrix product state, Abelian point group symmetry

Downloads

  • 1312.2415v2.pdf
    • full text
    • |
    • open access
    • |
    • PDF
    • |
    • 1.07 MB
  • (...).pdf
    • full text
    • |
    • UGent only
    • |
    • PDF
    • |
    • 1.17 MB

Citation

Please use this url to cite or link to this publication:

MLA
Wouters, Sebastian et al. “CheMPS2: a Free Open-source Spin-adapted Implementation of the Density Matrix Renormalization Group for Ab Initio Quantum Chemistry.” COMPUTER PHYSICS COMMUNICATIONS 185.6 (2014): 1501–1514. Print.
APA
Wouters, S., Poelmans, W., Ayers, P. W., & Van Neck, D. (2014). CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry. COMPUTER PHYSICS COMMUNICATIONS, 185(6), 1501–1514.
Chicago author-date
Wouters, Sebastian, Ward Poelmans, Paul W Ayers, and Dimitri Van Neck. 2014. “CheMPS2: a Free Open-source Spin-adapted Implementation of the Density Matrix Renormalization Group for Ab Initio Quantum Chemistry.” Computer Physics Communications 185 (6): 1501–1514.
Chicago author-date (all authors)
Wouters, Sebastian, Ward Poelmans, Paul W Ayers, and Dimitri Van Neck. 2014. “CheMPS2: a Free Open-source Spin-adapted Implementation of the Density Matrix Renormalization Group for Ab Initio Quantum Chemistry.” Computer Physics Communications 185 (6): 1501–1514.
Vancouver
1.
Wouters S, Poelmans W, Ayers PW, Van Neck D. CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry. COMPUTER PHYSICS COMMUNICATIONS. 2014;185(6):1501–14.
IEEE
[1]
S. Wouters, W. Poelmans, P. W. Ayers, and D. Van Neck, “CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry,” COMPUTER PHYSICS COMMUNICATIONS, vol. 185, no. 6, pp. 1501–1514, 2014.
@article{4337403,
  author       = {Wouters, Sebastian and Poelmans, Ward and Ayers, Paul W and Van Neck, Dimitri},
  issn         = {0010-4655},
  journal      = {COMPUTER PHYSICS COMMUNICATIONS},
  keywords     = {MOLECULE,BOND,SPACE,WAVE-FUNCTIONS,ENTANGLEMENT,C-2,QC-DMRG,ALGORITHM,ELECTRONIC STATES,POTENTIAL-ENERGY CURVES,SU(2) spin symmetry,Ab initio quantum chemistry,Density matrix renormalization group,Matrix product state,Abelian point group symmetry},
  language     = {eng},
  number       = {6},
  pages        = {1501--1514},
  title        = {CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry},
  url          = {http://dx.doi.org/10.1016/j.cpc.2014.01.019},
  volume       = {185},
  year         = {2014},
}

Altmetric
View in Altmetric
Web of Science
Times cited: