Publicaciones en las que colabora con Lorenzo Pueyo Casaus (23)

2001

  1. Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 10

  2. Theoretical explanation of the uniform compressibility behavior observed in oxide spinels

    Physical Review B - Condensed Matter and Materials Physics, Vol. 63, Núm. 18, pp. 1841011-1841017

1998

  1. Ab initio perturbed ion description of the equation of state and a high pressure phase transition of Al2O3

    Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 233-240

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. Static simulations of Cu+ centers in alkali halides

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 47-50

  4. 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

1994

  1. Local geometries and stabilities of Cu+ centers in alkali halides

    Physical Review B, Vol. 49, Núm. 1, pp. 69-75

1993

  1. Local geometry and resonant vibrations of Cu+:NaF. Results of ab initio perturbed ion, cluster-in-the-lattice calculations involving clusters of 179 ions

    The Journal of Chemical Physics, Vol. 99, Núm. 10, pp. 7970-7982

  2. Stability of transition-metal impurities in ionic fluorides from approximate hartree-fock cluster calculations

    Journal of Solid State Chemistry, Vol. 102, Núm. 1, pp. 226-235

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. Perturbed-Ion Atomic-Like Orbitals for Ions in Cubic Fluoroperovskites

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 439-440

  3. Simulation of Transition Metal Ions in Ionic Crystals

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 287-299

  4. Stability Diagrams of 3D Transition Ions in Ionic Crystals

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 441-442

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

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

1990

  1. Quantum-mechanical description of ions in crystals: Electronic structure of magnesium oxide

    Physical Review B, Vol. 42, Núm. 3, pp. 1791-1801

  2. Theoretical calculation of bulk properties of ionic crystals from the cluster approach: Application to NaF

    Journal of Solid State Chemistry, Vol. 89, Núm. 1, pp. 39-59

1989

  1. Effects of a quantum-mechanical lattice on the electronic structure and d-d spectrum of the (MnF6)4- cluster in Mn 2+:KZnF3

    The Journal of Chemical Physics, Vol. 90, Núm. 11, pp. 6409-6421

  2. Ionic crystals and electrostatics: The cluster model versus the standard model

    Journal of Chemical Education, Vol. 66, Núm. 4, pp. 307-310

1988

  1. A study of simple ionic crystals by a cluster-model approach. Application to the NaF.

    Journal of Molecular Structure: THEOCHEM, Vol. 166, Núm. C, pp. 209-214