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Theoretical Chemistry

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  1. K. Ledermüller, D.Kats and M.Schütz, Local CC2 response method based on the Laplace transform: Orbital-relaxed first-order properties for excited states, J. Chem. Phys., 139, 084111 (2013).
  2. G. Wälz, D. Kats, D. Usvyat, T. Korona and M. Schütz, Hermitian time-dependent coupled-cluster linear response ansätze of second-order in application to excitation energies and frequency-dependent dipole polarizabilities, Phys. Rev. A, 86, 052519 (2012).
  3. D. Kats, D. Usvyat and M. Schütz, Second-order variational coupled-cluster linear-response method: A Hermitian time-dependent theory, Phys. Rev. A, 83, 062503 (2011).
  4. T. Korona, D. Kats, M. Schütz, T. B. Adler, Y. Liu and H.-J. Werner, Local approximations for an efficient and accurate treatment of electron correlation and electron excitations in molecules., Linear-Scaling Techniques in Computational Chemistry and Physics, Series: Challenges and Advances in Computational Chemistry and Physics 13, 345 (2011).
  5. 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., 133, 244110 (2010).
  6. D. Kats und M. Schütz, Local Time-Dependent Coupled Cluster Response for Properties of Excited States in Large Molecules , Z. Phys. Chem. - special issue SPP1145, 224, 601 (2010).
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  7. D. Kats and M. Schütz, A multistate local coupled cluster CC2 response method based on the Laplace transform, J. Chem. Phys., 131, 124117 (2009).
  8. D. Kats, D. Usvyat, S. Loibl, T. Merz, M. Schütz, Comment on "Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller-Plesset perturbation theories", J. Chem. Phys., 130, 127101 (2009).
  9. D. Kats, D. Usvyat and M. Schütz, On the use of the Laplace transform in local correlation methods, Phys. Chem. Chem. Phys., 10, 3430 (2008).
  10. 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).
  11. D. Kats, T. Korona and M. Schütz, Local CC2 electronic excitation energies for large molecules with density fitting, J. Chem. Phys., 125, 104106 (2006).
 
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