.. CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2016 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. .. index:: Publications .. _label-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 `_ .. code-block:: tex @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 `_ .. code-block:: tex @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 `_ .. code-block:: tex @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 `_ .. code-block:: tex @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} }