Publications (45) Publications de JOSE MARIA PEREZ JORDA

2020

  1. Inverting the external-potential-to-electron density map in systems of electrons by minimization of a least-squares fit functional for analytic potentials

    International Journal of Quantum Chemistry, Vol. 120, Núm. 1

2018

  1. On the recursive solution of the quantum harmonic oscillator

    European Journal of Physics, Vol. 39, Núm. 1

2017

  1. Fast solution of Schrödinger's equation using linear combinations of plane waves

    Computers and Mathematics with Applications, Vol. 74, Núm. 12, pp. 3318-3327

2016

  1. Fast solution of elliptic partial differential equations using linear combinations of plane waves

    Physical Review E, Vol. 93, Núm. 2

2014

  1. Variational solution of Poisson's equation using plane waves in adaptive coordinates

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 90, Núm. 5

2011

  1. Variational solution of the three-dimensional Schrdinger equation usingplane waves in adaptive coordinates

    Journal of Chemical Physics, Vol. 135, Núm. 20

2010

  1. Variational solution of the Schrödinger equation using plane waves in adaptive coordinates: The radial case

    Journal of Chemical Physics, Vol. 132, Núm. 2

2007

  1. Combining multiconfigurational wave functions with correlation density functionals: A size-consistent method based on natural orbitals and occupation numbers

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 75, Núm. 1

  2. Combining two-body density correlation functionals with multiconfigurational wave functions using natural orbitals and occupation numbers

    Journal of Chemical Physics, Vol. 127, Núm. 10

  3. Merging multiconfigurational wavefunctions and correlation functional to predict magnetic coupling constants

    Journal of Computational Chemistry, Vol. 28, Núm. 16, pp. 2559-2568

2006

  1. Spectroscopic and electrochemical study of the redox process of poly (2, 2′ -dithiodianiline)

    Journal of the Electrochemical Society, Vol. 153, Núm. 11

2005

  1. Correlation energy functionals dependent on an effective number of electrons: Charged species and equilibrium geometries

    Journal of Chemical Physics, Vol. 123, Núm. 14

  2. Torsional potential of 4, 4′ -bipyridine: Ab initio analysis of dispersion and vibrational effects

    Journal of Chemical Physics, Vol. 123, Núm. 13

2004

  1. Correlation factor approach to the correlation energy functional

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

  2. Density functional theory with alternative spin densities: Application to magnetic systems with localized spins

    Journal of Chemical Physics, Vol. 120, Núm. 1, pp. 18-25

2002

  1. New correlation energy functionals with explicit dependence on the number of electrons

    Journal of Chemical Physics, Vol. 116, Núm. 24, pp. 10571-10576

2001

  1. Characterizing conformers and torsional potentials of nitrosoformaldehyde and N-nitrosomethanimine

    Journal of Chemical Physics, Vol. 115, Núm. 8, pp. 3698-3705

  2. High-level ab initio calculations of the torsional potential of glyoxal

    Chemical Physics Letters, Vol. 342, Núm. 3-4, pp. 452-460

  3. New approach to the design of density functionals

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

  4. Torsional potential of 1,3-butadiene: Ab initio calculations

    Molecular Physics, Vol. 99, Núm. 1, pp. 47-51