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CFOUR, Coupled-Cluster techniques for Computational Chemistry,
a quantum-chemical program package by
J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews, P.G. Szalay
with contributions from
A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble,
O. Christiansen, F. Engel, R. Faber, M. Heckert, O. Heun, M. Hilgenberg,
C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, T. Kirsch, K. Klein,
W.J. Lauderdale, F. Lipparini, T. Metzroth, L.A. Mück, D.P. O'Neill,
D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach,
C. Simmons, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J.D. Watts
and the integral packages
MOLECULE (J. Almlöf and P.R. Taylor),
PROPS (P.R. Taylor),
ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, and J. Olsen),
and ECP routines by A. V. Mitin and C. van Wüllen.
For the current version, see http://www.cfour.de.

You might use the following bibtex entry:

@misc{cfour,

	Author = {J. F. Stanton and J. Gauss and L. Cheng and M. E. Harding and D. A. Matthews and P. G. Szalay},
	Note = {{W}ith contributions from {A}.{A}. {A}uer, {R}.{J}. {B}artlett, {U}. {B}enedikt, {C}. {B}erger,
{D}.{E}. {B}ernholdt, {Y}.{J}. {B}omble, {O}. {C}hristiansen, {F}. Engel, {R}. Faber, {M}. {H}eckert,
{O}. {H}eun, {M}. Hilgenberg, {C}. {H}uber, {T}.-{C}. {J}agau, {D}. {J}onsson, {J}. {J}us{\'e}lius,
{T}. Kirsch, {K}. {K}lein, {W}.{J}. {L}auderdale, {F}. {L}ipparini, {T}. {M}etzroth, {L}.{A}. {M}{\"u}ck,
{D}.{P}. {O}'{N}eill, {D}.{R}. {P}rice, {E}. {P}rochnow, {C}. {P}uzzarini, {K}. {R}uud, {F}. {S}chiffmann,
{W}. {S}chwalbach, {C}. {S}immons, {S}. {S}topkowicz, {A}. {T}ajti, {J}. {V}{\'a}zquez, {F}. {W}ang, {J}.{D}. {W}atts
and the integral packages {MOLECULE} ({J}. {A}lml{\"o}f and {P}.{R}. {T}aylor), {PROPS} ({P}.{R}. {T}aylor),
{ABACUS} ({T}. {H}elgaker, {H}.{J}. {A}a. {J}ensen, {P}. {J}{\o}rgensen, and {J}. {O}lsen),
and {ECP} routines by {A}. {V}. {M}itin and {C}. van {W}{\"u}llen. {F}or the current version, see http://www.cfour.de.}, Title = {{CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package}}}

Parallel version of CFOUR
M.E. Harding, T. Metzroth, J. Gauss, and A.A. Auer, J. Chem. Theor. Comp. 4, 64 (2008)

Quantum chemical methods

Basis sets

Analytic energy derivatives

Calculation of molecular properties

EOM and CC-LR methods for excited, ionized, and electron-attached states

Additivity and basis-set extrapolation schemes

Relativistic effects

Diagonal Born-Oppenheimer corrections

Special topics

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Page last modified on June 13, 2018, at 10:54 PM
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CFOUR is partially supported by the U.S. National Science Foundation.