Publicacións en colaboración con investigadores/as de Aarhus University (8)

2014

  1. Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition

    Journal of Chemical Physics, Vol. 140, Núm. 10

  2. The Dalton quantum chemistry program system

    Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Núm. 3, pp. 269-284

1997

  1. The CC3 model: An iterative coupled cluster approach including connected triples

    Journal of Chemical Physics, Vol. 106, Núm. 5, pp. 1808-1818

1996

  1. Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene

    Journal of Chemical Physics, Vol. 105, Núm. 16, pp. 6921-6939

  2. The integral-direct coupled cluster singles and doubles model

    Journal of Chemical Physics, Vol. 104, Núm. 11, pp. 4157-4165

1994

  1. Calculation of size-intensive transition moments from the coupled cluster singles and doubles linear response function

    The Journal of Chemical Physics, Vol. 100, Núm. 6, pp. 4393-4400

1991

  1. Restricted and complete-active-space multiconfiguration linear response calculations of the polarizability of formamide and urea

    Chemical Physics Letters, Vol. 186, Núm. 4-5, pp. 379-385

1989

  1. Excitation energies, transition moments and dynamic polarizabilities for CH+. A comparison of multiconfigurational linear response and full configuration interaction calculations

    Chemical Physics Letters, Vol. 154, Núm. 4, pp. 380-386