Publicacións en colaboración con investigadores/as de University of Southern Denmark (13)

2014

  1. The Dalton quantum chemistry program system

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

2002

  1. Rovibrational structure of the Ar-CO complex based on a novel three-dimensional ab initio potential

    Journal of Chemical Physics, Vol. 117, Núm. 14, pp. 6562-6572

2001

  1. Comment on "the importance of high-order correlation effects for the CO-CO interaction potential" [Chem. Phys. Lett. 314 (1999) 326]

    Chemical Physics Letters, Vol. 334, Núm. 4-6, pp. 419-423

  2. Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals

    Journal of Chemical Physics, Vol. 114, Núm. 16, pp. 6983-6993

  3. The helium-, neon-, and argon-cyclopropane van der waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

    Journal of Chemical Physics, Vol. 115, Núm. 18, pp. 8431-8439

1999

  1. Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar2

    Journal of Chemical Physics, Vol. 110, Núm. 2-12, pp. 2872-2882

  2. Accurate intermolecular ground state potential of the Ar-N2 complex

    Journal of Chemical Physics, Vol. 110, Núm. 17, pp. 8525-8532

  3. Benzene-argon S1 intermolecular potential energy surface

    Journal of Chemical Physics, Vol. 111, Núm. 13, pp. 5922-5928

  4. Ground state benzene-argon intermolecular potential energy surface

    Journal of Chemical Physics, Vol. 111, Núm. 1, pp. 198-204

  5. The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He2 and Ar2

    Journal of Chemical Physics, Vol. 111, Núm. 22, pp. 10099-10107

  6. The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients

    Journal of Chemical Physics, Vol. 111, Núm. 22, pp. 10108-10118

1998

  1. Accurate ab initio rovibronic spectrum of the X1Σg+ and B1Σu+ states in Ar2

    Journal of Chemical Physics, Vol. 109, Núm. 23, pp. 10255-10262

1992

  1. Spin polarization in restricted electronic structure theory: Multiconfiguration self-consistent-field calculations of hyperfine coupling constants

    The Journal of Chemical Physics, Vol. 97, Núm. 5, pp. 3412-3419