Publicaciones en las que colabora con Jaime Fernández Rico (52)

2014

  1. Nuclear cusp conditions and their fulfillment in molecular calculations with SLATER basis sets

    International Journal of Quantum Chemistry, Vol. 114, Núm. 20, pp. 1393-1400

2013

  1. A note on atomic density

    International Journal of Quantum Chemistry, Vol. 113, Núm. 1, pp. 52-55

  2. Improved partition-expansion of two-center distributions involving slater functions

    Journal of Computational Chemistry, Vol. 34, Núm. 21, pp. 1800-1809

  3. Multipole moments from the partition-expansion method

    Theoretical Chemistry Accounts, Vol. 132, Núm. 12, pp. 1-10

  4. Repulsion integrals involving slater-type functions and yukawa potential

    Theoretical Chemistry Accounts, Vol. 132, Núm. 1, pp. 1-9

  5. Translation of real solid spherical harmonics

    International Journal of Quantum Chemistry, Vol. 113, Núm. 10, pp. 1544-1548

2011

  1. Direct calculation of the Coulomb matrix: Slater-type orbitals

    Theoretical Chemistry Accounts, Vol. 128, Núm. 1, pp. 115-125

2010

  1. Additivity and transferability of exchange energy

    International Journal of Quantum Chemistry, Vol. 110, Núm. 6, pp. 1137-1141

2009

  1. DAMQT: A package for the analysis of electron density in molecules

    Computer Physics Communications, Vol. 180, Núm. 9, pp. 1654-1660

2008

  1. Auxiliary functions for molecular integrals with slater-iype Orbitals. II. Gauss transform methods

    International Journal of Quantum Chemistry, Vol. 108, Núm. 1, pp. 25-39

  2. Efficient evaluation of the Fourier transform over products of Slater-type orbitals on different centers

    Journal of Physics A: Mathematical and Theoretical, Vol. 41, Núm. 48

  3. Three-center Coulomb repulsion integrals with slater functions

    International Journal of Quantum Chemistry, Vol. 108, Núm. 9, pp. 1415-1421

2007

  1. Chemical forces in terms of the electron density

    Theoretical Chemistry Accounts, Vol. 118, Núm. 3, pp. 709-721

  2. Generation of basis sets with high degree of fulfillment of the hellmann-feynman theorem

    Journal of Computational Chemistry, Vol. 28, Núm. 4, pp. 748-758

2006

  1. Auxiliary functions for molecular integrals with slater-type orbitals. I. Translation methods

    International Journal of Quantum Chemistry, Vol. 106, Núm. 9, pp. 1986-1997

2005

  1. Chemical notions from the electron density

    Journal of Chemical Theory and Computation, Vol. 1, Núm. 6, pp. 1083-1095

  2. Deformed atoms in molecules: Analytical representation of atomic densities for Gaussian type orbitals

    Journal of Molecular Structure: THEOCHEM, Vol. 727, Núm. 1-3 SPEC. ISS., pp. 115-121

  3. Translation of STO charge distributions

    Journal of Computational Chemistry, Vol. 26, Núm. 8, pp. 846-855

2004

  1. Accuracy of the electrostatic theorem for high-quality slater and Gaussian basis sets

    International Journal of Quantum Chemistry, Vol. 100, Núm. 2 SPEC. ISS., pp. 221-230

  2. Analytical method for the representation of atoms-in-molecules densities

    Journal of Computational Chemistry, Vol. 25, Núm. 11, pp. 1355-1363