Publicaciones en colaboración con investigadores/as de Lund University (12)

2011

  1. Cholesky decomposition techniques in electronic structure theory

    Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 301-343

  2. The CCSD(T) model with Cholesky decomposition of orbital energy denominators

    International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 349-355

2008

  1. Accurate ab initio density fitting for multiconfigurational self-consistent field methods

    Journal of Chemical Physics, Vol. 129, Núm. 2

  2. Variation of polarizability in the [4n + 2] annulene series: From [22]- to [66]-annulene?

    Physical Chemistry Chemical Physics, Vol. 10, Núm. 3, pp. 361-365

2007

  1. Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes

    Chemical Physics Letters, Vol. 441, Núm. 4-6, pp. 332-335

2006

  1. Carbon nanorings: A challenge to theoretical chemistry

    ChemPhysChem, Vol. 7, Núm. 12, pp. 2503-2507

  2. Fast noniterative orbital localization for large molecules

    Journal of Chemical Physics, Vol. 125, Núm. 17

2004

  1. Origin invariant calculation of optical rotation without recourse to London orbitals

    Chemical Physics Letters, Vol. 393, Núm. 4-6, pp. 319-326

  2. Polarizabilities of small annulenes from Cholesky CC2 linear response theory

    Chemical Physics Letters, Vol. 390, Núm. 1-3, pp. 170-175

  3. Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using cholesky decompositions

    Journal of Chemical Physics, Vol. 120, Núm. 19, pp. 8887-8897

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