Publicaciones en las que colabora con JOSE MARIA PEREZ JORDA (19)

2007

  1. Combining two-body density correlation functionals with multiconfigurational wave functions using natural orbitals and occupation numbers

    Journal of Chemical Physics, Vol. 127, Núm. 10

2005

  1. Torsional potential of 4, 4′ -bipyridine: Ab initio analysis of dispersion and vibrational effects

    Journal of Chemical Physics, Vol. 123, Núm. 13

2004

  1. Correlation factor approach to the correlation energy functional

    Theoretical Chemistry Accounts, Vol. 111, Núm. 1, pp. 1-17

2002

  1. New correlation energy functionals with explicit dependence on the number of electrons

    Journal of Chemical Physics, Vol. 116, Núm. 24, pp. 10571-10576

2001

  1. Characterizing conformers and torsional potentials of nitrosoformaldehyde and N-nitrosomethanimine

    Journal of Chemical Physics, Vol. 115, Núm. 8, pp. 3698-3705

  2. High-level ab initio calculations of the torsional potential of glyoxal

    Chemical Physics Letters, Vol. 342, Núm. 3-4, pp. 452-460

  3. New approach to the design of density functionals

    Journal of Chemical Physics, Vol. 114, Núm. 5, pp. 2022-2026

  4. Torsional potential of 1,3-butadiene: Ab initio calculations

    Molecular Physics, Vol. 99, Núm. 1, pp. 47-51

2000

  1. A DFT study of analytical correlated densities

    Chemical Physics Letters, Vol. 331, Núm. 1, pp. 101-107

  2. Mono and multiconfigurational wave functions with DFT correlation energy: The case of fluorine

    Journal of Molecular Structure: THEOCHEM, Vol. 528, Núm. 1-3, pp. 59-64

1999

  1. Density-functional study of van der Waals forces on rare-gas diatomics: Hartree-Fock exchange

    Journal of Chemical Physics, Vol. 110, Núm. 4, pp. 1916-1920

1998

  1. Improvement of multiconfigurational wave functions and energies by correlation energy functionals

    Journal of Physical Chemistry A, Vol. 102, Núm. 52, pp. 10900-10902

1994

  1. Applicability to atoms of a large set of correlation energy functinals

    International Journal of Quantum Chemistry, Vol. 52, Núm. 4, pp. 1027-1038

  2. Automatic numerical integration techniques for polyatomic molecules

    The Journal of Chemical Physics, Vol. 100, Núm. 9, pp. 6520-6534

1993

  1. A simple, efficient and more reliable scheme for automatic numerical integration

    Computer Physics Communications, Vol. 77, Núm. 1, pp. 46-56

1992

  1. A simple, reliable and efficient scheme for automatic numerical integration

    Computer Physics Communications, Vol. 70, Núm. 2, pp. 271-284

  2. Results of the correlation energy functionals versus the wavefunction type

    Journal of Molecular Structure: THEOCHEM, Vol. 254, Núm. C, pp. 1-11

1990

  1. On the accuracy of correlation energy calculated by the correlation factor method: first- and second-row atoms

    Theoretica Chimica Acta, Vol. 77, Núm. 3, pp. 207-212

1989

  1. DENSITY FUNCTIONALS AND CHEMICAL-BOND, DIATOMIC-MOLECULES

    JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, Vol. 86, Núm. 4, pp. 853-859