Publicaciones en las que colabora con Lorenzo Pueyo Casaus (16)

2004

  1. Reduced-size representations of high-quality atomic densities. The hybrid Gaussian-exponential case

    Theoretical Chemistry Accounts, Vol. 112, Núm. 3, pp. 113-123

2002

  1. Hirshfeld surfaces as approximations to interatomic surfaces

    Journal of Chemical Physics, Vol. 117, Núm. 3, pp. 1017-1023

1995

  1. Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystals

    Physical Review B, Vol. 51, Núm. 5, pp. 2703-2714

  2. Effects of a quantum crystal potential on the derivation of electron gas interionic energies

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 197-200

  3. Theoretical study of the coordination of the cr3+ ion in α-Al2O3

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 123-126

1992

  1. Electronic structure and electronic excitations of solid neon from an ab initio atom-in-the-lattice approach

    Journal of Physical Chemistry, Vol. 96, Núm. 5, pp. 2301-2307

1991

  1. Local wave functions for multinegative ions in solids

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 2, pp. 727-728

  2. Theoretical D-D Spectrum of Cr3+:MgO

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 437-438

  3. Theoretical computation of the gyromagnetic factor for the Cr3+ and V2+ ions in KMgF3.

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 2, pp. 725-726

1988

  1. The coulombic lattice potential of ionic compounds: The cubic perovskites

    Journal of Chemical Education, Vol. 65, Núm. 1, pp. 6-9

  2. Theoretical spin-orbit coupling constants for 3d ions in crystals

    Physical Review B, Vol. 37, Núm. 10, pp. 5278-5288

1987

  1. Accurate calculation of spin-orbit coupling constants for 3d atoms and ions with effective core potentials and reduced basis sets

    Physical Review A, Vol. 36, Núm. 5, pp. 1978-1982

  2. Basis sets generation: Relation between Adamowicz's and the maximum overlap method

    International Journal of Quantum Chemistry, Vol. 31, Núm. 2, pp. 279-285

  3. Core projection effects in near-ab-initio valence calculations. II. Ground state geometry of octahedral chromium (I, II, III, and IV) hexafluorides

    Journal of Solid State Chemistry, Vol. 66, Núm. 2, pp. 263-282

  4. Reduction of orbital sets

    Computer Physics Communications, Vol. 43, Núm. 2, pp. 269-277

1986

  1. The maximum overlap method: A general and efficient scheme for reducing basis sets. Application to the generation of approximate AO's for the 3d transition metal atoms and ions

    Journal of Solid State Chemistry, Vol. 63, Núm. 3, pp. 391-400