1.. CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry 2 Copyright (C) 2013-2018 Sebastian Wouters 3 4 This program is free software; you can redistribute it and/or modify 5 it under the terms of the GNU General Public License as published by 6 the Free Software Foundation; either version 2 of the License, or 7 (at your option) any later version. 8 9 This program is distributed in the hope that it will be useful, 10 but WITHOUT ANY WARRANTY; without even the implied warranty of 11 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 12 GNU General Public License for more details. 13 14 You should have received a copy of the GNU General Public License along 15 with this program; if not, write to the Free Software Foundation, Inc., 16 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. 17 18.. index:: Publications 19.. _label-publications: 20 21Publications 22============ 23 24To acknowledge CheMPS2, please cite the following publications: 25 26* | Sebastian Wouters, Ward Poelmans, Paul W. Ayers and Dimitri Van Neck, 27 | CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry, 28 | *Computer Physics Communications* **185** (6), 1501-1514 (2014), 29 | doi: `10.1016/j.cpc.2014.01.019 <http://dx.doi.org/10.1016/j.cpc.2014.01.019>`_ 30 31.. code-block:: tex 32 33 @article{CheMPS2cite1, 34 author = {Sebastian Wouters and Ward Poelmans and Paul W. Ayers and Dimitri {Van Neck}}, 35 title = {CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry}, 36 journal = {Computer Physics Communications}, 37 year = {2014}, 38 volume = {185}, 39 number = {6}, 40 pages = {1501-1514}, 41 doi = {10.1016/j.cpc.2014.01.019} 42 } 43 44* | Sebastian Wouters and Dimitri Van Neck, 45 | The density matrix renormalization group for ab initio quantum chemistry, 46 | *European Physical Journal D* **68** (9), 272 (2014), 47 | doi: `10.1140/epjd/e2014-50500-1 <http://dx.doi.org/10.1140/epjd/e2014-50500-1>`_ 48 49.. code-block:: tex 50 51 @article{CheMPS2cite2, 52 author = {Sebastian Wouters and Dimitri {Van Neck}}, 53 title = {The density matrix renormalization group for ab initio quantum chemistry}, 54 journal = {European Physical Journal D}, 55 year = {2014}, 56 volume = {68}, 57 number = {9}, 58 pages = {272}, 59 doi = {10.1140/epjd/e2014-50500-1} 60 } 61 62* | Sebastian Wouters, Thomas Bogaerts, Pascal Van Der Voort, Veronique Van Speybroeck and Dimitri Van Neck, 63 | Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen), 64 | *Journal of Chemical Physics* **140** (24), 241103 (2014), 65 | doi: `10.1063/1.4885815 <http://dx.doi.org/10.1063/1.4885815>`_ 66 67.. code-block:: tex 68 69 @article{CheMPS2cite3, 70 author = {Sebastian Wouters and Thomas Bogaerts and Pascal {Van Der Voort} and Veronique {Van Speybroeck} and Dimitri {Van Neck}}, 71 title = {Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)}, 72 journal = {Journal of Chemical Physics}, 73 year = {2014}, 74 volume = {140}, 75 number = {24}, 76 pages = {241103}, 77 doi = {10.1063/1.4885815} 78 } 79 80* | Sebastian Wouters, Veronique Van Speybroeck and Dimitri Van Neck, 81 | DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes, 82 | *Journal of Chemical Physics* **145** (5), 054120 (2016), 83 | doi: `10.1063/1.4959817 <http://dx.doi.org/10.1063/1.4959817>`_ 84 85.. code-block:: tex 86 87 @article{CheMPS2cite4, 88 author = {Sebastian Wouters and Veronique {Van Speybroeck} and Dimitri {Van Neck}}, 89 title = {DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes}, 90 journal = {Journal of Chemical Physics}, 91 year = {2016}, 92 volume = {145}, 93 number = {5}, 94 pages = {054120}, 95 doi = {10.1063/1.4959817} 96 } 97 98 99