How to cite

If you are using the SHARC code, please cite the following references.
For the code:

  • S. Mai, M. Richter, M. Heindl, M. F. S. J. Menger, A. Atkins, M. Ruckenbauer, F. Plasser, M. Oppel, P. Marquetand, L. González
    SHARC2.0: Surface Hopping Including Arbitrary Couplings – Program Package for Non-Adiabatic Dynamics, sharc-md.org (2018).

Please also do not forget to cite the references, where the method is described:

For your convenience, please find the references below in different formats.

BibTex:
@Misc{sharc-md2.0,
Title = {SHARC2.0: Surface Hopping Including Arbitrary Couplings — Program Package for Non-Adiabatic Dynamics},
Author = {Sebastian Mai and Martin Richter and Moritz Heindl and Maximilian F. S. J. Menger and Andrew Atkins and Matthias Ruckenbauer and Felix Plasser and Markus Oppel and Philipp Marquetand and Leticia Gonz\’alez},
HowPublished = {sharc-md.org},
Year = {2018}
}
@Article{Richter2011JCTC,
Title = {{SHARC}: ab initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings},
Author = {Martin Richter and Philipp Marquetand and Jes\'{u}s Gonz\'{a}lez-V\'{a}zquez and Ignacio Sola and Leticia Gonz\'{a}lez},
Journal = {J. Chem. Theory Comput.},
Year = {2011},
Number = {5},
Pages = {1253-1258},
Volume = {7},
Doi = {10.1021/ct1007394},
Url = {http://dx.doi.org/10.1021/ct1007394}
}
@Article{Mai2015IJQC,
Title = {A General Method to Describe Intersystem Crossing Dynamics in Trajectory Surface Hopping},
Author = {Sebastian Mai and Philipp Marquetand and Leticia Gonz\’alez},
Journal = {Int. J. Quantum Chem.},
Year = {2015},
Volume = {115},
Pages = {1215-1231},
Doi = {10.1002/qua.24891},
ISSN = {1097-461X},
Keywords = {surface hopping, intersystem crossing, nonadiabatic dynamics, photochemistry, spin-orbit coupling},
Url = {http://dx.doi.org/10.1002/qua.24891}
}

RIS:
TY – GEN
AU – Mai, Sebastian
AU – Richter, Martin
AU – Heindl, Moritz
AU – Menger, Maximilian F. S. J.
AU – Atkins, Andrew
AU – Ruckenbauer, Matthias
AU – Plasser, Felix
AU – Oppel, Markus
AU – Marquetand, Philipp
AU – González, Leticia
T1 – SHARC2.0: Surface Hopping Including Arbitrary Couplings — Program Package for Non-Adiabatic Dynamics
Y1 – 2018

ER –
TY – JOUR
AU – Richter, Martin
AU – Marquetand, Philipp
AU – González-Vázquez, Jesús
AU – Sola, Ignacio
AU – González, Leticia
T1 – SHARC: ab initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings
JO – J. Chem. Theory Comput.
Y1 – 2011
VL – 7
IS – 5
SP – 1253
EP – 1258
UR – http://dx.doi.org/10.1021/ct1007394
M3 – 10.1021/ct1007394

ER –
TY – JOUR
AU – Mai, Sebastian
AU – Marquetand, Philipp
AU – González, Leticia
T1 – A General Method to Describe Intersystem Crossing Dynamics in Trajectory Surface Hopping
JO – Int. J. Quantum Chem.
Y1 – 2015
VL – 115
SP – 1215
EP – 1231
UR – http://dx.doi.org/10.1002/qua.24891
M3 – 10.1002/qua.24891
KW – surface hopping
KW – intersystem crossing
KW – nonadiabatic dynamics
KW – photochemistry
KW – spin-orbit coupling
U1 – 1097-461X