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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 | .. 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 <http://dx.doi.org/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 <http://dx.doi.org/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 <http://dx.doi.org/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 <http://dx.doi.org/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}
}
|