publications.rst

.. index:: Publications

Publications

To acknowledge CheMPS2, please cite the following publications:

• Sebastian Wouters, Ward Poelmans, Paul W. Ayers and Dimitri Van Neck,

  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 (2014),

  doi: 10.1016/j.cpc.2014.01.019

@article{CheMPS2cite1,
    author = {Sebastian Wouters and Ward Poelmans and Paul W. Ayers and Dimitri {Van Neck}},
    title = {CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry},
    journal = {Computer Physics Communications},
    year = {2014},
    volume = {185},
    number = {6},
    pages = {1501-1514},
    doi = {10.1016/j.cpc.2014.01.019}
}

• Sebastian Wouters and Dimitri Van Neck,

  The density matrix renormalization group for ab initio quantum chemistry,

  European Physical Journal D 68 (9), 272 (2014),

  doi: 10.1140/epjd/e2014-50500-1

@article{CheMPS2cite2,
    author = {Sebastian Wouters and Dimitri {Van Neck}},
    title = {The density matrix renormalization group for ab initio quantum chemistry},
    journal = {European Physical Journal D},
    year = {2014},
    volume = {68},
    number = {9},
    pages = {272},
    doi = {10.1140/epjd/e2014-50500-1}
}

• Sebastian Wouters, Thomas Bogaerts, Pascal Van Der Voort, Veronique Van Speybroeck and Dimitri Van Neck,

  Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen),

  Journal of Chemical Physics 140 (24), 241103 (2014),

  doi: 10.1063/1.4885815

@article{CheMPS2cite3,
    author = {Sebastian Wouters and Thomas Bogaerts and Pascal {Van Der Voort} and Veronique {Van Speybroeck} and Dimitri {Van Neck}},
    title = {Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)},
    journal = {Journal of Chemical Physics},
    year = {2014},
    volume = {140},
    number = {24},
    pages = {241103},
    doi = {10.1063/1.4885815}
}

• Sebastian Wouters, Veronique Van Speybroeck and Dimitri Van Neck,

  DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes,

  Journal of Chemical Physics 145 (5), 054120 (2016),

  doi: 10.1063/1.4959817

@article{CheMPS2cite4,
    author = {Sebastian Wouters and Veronique {Van Speybroeck} and Dimitri {Van Neck}},
    title = {DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes},
    journal = {Journal of Chemical Physics},
    year = {2016},
    volume = {145},
    number = {5},
    pages = {054120},
    doi = {10.1063/1.4959817}
}