Ciencias Económicas y Empresariales
Facultad
![Foto de Jaime](/img/nophoto.png)
Jaime
Fernández Rico
Publicaciones en las que colabora con Jaime Fernández Rico (52)
2014
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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
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A note on atomic density
International Journal of Quantum Chemistry, Vol. 113, Núm. 1, pp. 52-55
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Improved partition-expansion of two-center distributions involving slater functions
Journal of Computational Chemistry, Vol. 34, Núm. 21, pp. 1800-1809
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Multipole moments from the partition-expansion method
Theoretical Chemistry Accounts, Vol. 132, Núm. 12, pp. 1-10
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Repulsion integrals involving slater-type functions and yukawa potential
Theoretical Chemistry Accounts, Vol. 132, Núm. 1, pp. 1-9
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Translation of real solid spherical harmonics
International Journal of Quantum Chemistry, Vol. 113, Núm. 10, pp. 1544-1548
2011
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Direct calculation of the Coulomb matrix: Slater-type orbitals
Theoretical Chemistry Accounts, Vol. 128, Núm. 1, pp. 115-125
2010
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Additivity and transferability of exchange energy
International Journal of Quantum Chemistry, Vol. 110, Núm. 6, pp. 1137-1141
2009
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DAMQT: A package for the analysis of electron density in molecules
Computer Physics Communications, Vol. 180, Núm. 9, pp. 1654-1660
2008
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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
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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
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Three-center Coulomb repulsion integrals with slater functions
International Journal of Quantum Chemistry, Vol. 108, Núm. 9, pp. 1415-1421
2007
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Chemical forces in terms of the electron density
Theoretical Chemistry Accounts, Vol. 118, Núm. 3, pp. 709-721
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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
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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
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Chemical notions from the electron density
Journal of Chemical Theory and Computation, Vol. 1, Núm. 6, pp. 1083-1095
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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
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Translation of STO charge distributions
Journal of Computational Chemistry, Vol. 26, Núm. 8, pp. 846-855
2004
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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
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Analytical method for the representation of atoms-in-molecules densities
Journal of Computational Chemistry, Vol. 25, Núm. 11, pp. 1355-1363