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    }
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