Publications by the researcher in collaboration with EMILIO SAN FABIAN MAROTO (12)

2004

  1. Correlation factor approach to the correlation energy functional

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

2001

  1. New approach to the design of density functionals

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

2000

  1. 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