Bibliography:
General local CC2 for excited states:
D. Kats, T. Korona and M. Schütz,
Local CC2 electronic excitation energies for large molecules with density fitting,
J. Chem. Phys. 125, 104106 (2006).
D. Kats, T. Korona and M. Schütz,
Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting,
J. Chem. Phys. 127, 064107 (2007).
Laplace transformed local CC2 for excited states:
D. Kats and M. Schütz,
A multistate local coupled cluster CC2 response method based on the Laplace transform,
J. Chem. Phys. 131, 124117 (2009).
D. Kats and M. Schütz,
Local Time-Dependent Coupled Cluster Response for Properties of Excited States in Large Molecules, Z. Phys. Chem. 224, 601 (2010).
K. Freundorfer, D. Kats, T. Korona and M. Schütz,
Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties,
J. Chem. Phys., accepted, (2010).
Previous work on local methods for excited states (LEOM-CCSD):
T. Korona and H.-J. Werner
Local treatment of electron excitations in the EOM-CCSD method,
J. Chem. Phys. 118, 3006 (2003).
All publications resulting from use of this program must acknowledge Ref. [3] (calculations of singlet states) and [5] (calculations of triplet states and properties).
The command LT-DF-LCC2 calls the Laplace transformed LCC2 program, and LT-DF-LADC(2) calls LADC(2). The excited states of interest should be specified on the EOM card.
molpro@molpro.net 2012-02-09