If you are using the SHARC code, please cite the following references.
For the SHARC3.0 package:
- S. Mai, D. Avagliano, M. Heindl, P. Marquetand, M.F.S.J. Menger, M. Oppel, F. Plasser, S. Polonius, M. Ruckenbauer, Y. Shu, D.G. Truhlar, L. Zhang, P. Zobel, L. González
SHARC3.0: Surface Hopping Including Arbitrary Couplings – Program Package for Non-Adiabatic Dynamics,
https://sharc-md.org/ (2023). DOI: 10.5281/zenodo.7828641
Please also do not forget to cite the reference, where the SHARC package is described:
- S. Mai, P. Marquetand, L. González
Nonadiabatic Dynamics: The SHARC Approach
WIREs Comput. Mol. Sci., 8, e1370 (2018). - Citations for specific methods can be found on page Publications containing SHARC
For your convenience, please find the references below in different formats.
BibTex:
@MISC{SHARC3.0,
author = {Sebastian Mai and Davide Avagliano and Moritz Heindl and Philipp Marquetand and
Maximilian F. S. J. Menger and Markus Oppel and Felix Plasser and Severin Polonius and Matthias Ruckenbauer and
Yinan Shu and Donald G. Truhlar and Linyao Zhang and Patrick Zobel and Leticia Gonz\’alez},
title = {{SHARC3.0}: Surface Hopping Including Arbitrary Couplings — Program Package for Non-Adiabatic Dynamics},
howpublished = {https://sharc-md.org/},
doi = {10.5281/zenodo.7828641},
year = {2023}
}
@Article{Mai2018WCMS,
Title = {Nonadiabatic Dynamics: The SHARC Approach},
Author = {Sebastian Mai and Philipp Marquetand and Leticia Gonz\’alez},
Journal = {WIREs Comput. Mol. Sci.},
Year = {2018},
Volume = {8},
Pages = {e1370},
Doi = {10.1002/wcms.1370},
Keywords = {ab initio molecular dynamics, excited states, nonadiabatic dynamics, surface hopping, SHARC},
Url = {http://dx.doi.org/10.1002/wcms.1370}
}
RIS:
TY – GEN
AU – Mai, Sebastian
AU – Avagliano, Davide
AU – Heindl, Moritz
AU – Marquetand, Philipp
AU – Menger, Maximilian F. S. J.
AU – Oppel, Markus
AU – Plasser, Felix
AU – Polonius, Severin
AU – Ruckenbauer, Matthias
AU – Shu, Yinan
AU – Truhlar, Donald G.
AU – Zhang, Linyao
AU – Zobel, Patrick
AU – González, Leticia
T1 – SHARC3.0: Surface Hopping Including Arbitrary Couplings — Program Package for Non-Adiabatic Dynamics
Y1 – 2023
UR – https://sharc-md.org/
M3 – 10.5281/zenodo.7828641
ER –
TY – JOUR
AU – Mai, Sebastian
AU – Marquetand, Philipp
AU – González, Leticia
T1 – Nonadiabatic Dynamics: The SHARC Approach
JO – WIREs Comput. Mol. Sci.
Y1 – 2018
VL – 8
SP – e1370
EP –
UR – http://dx.doi.org/10.1002/wcms.1370
M3 – 10.1002/wcms.1370
KW – ab initio molecular dynamics
KW – excited states
KW – surface hopping
KW – nonadiabatic dynamics
KW – SHARC