J. Pérez-Jordá

发表

Density-functional study of van der Waals forces on rare-gas diatomics: Hartree–Fock exchange

Á. Pérez‐Jiménez, E. San-Fabián, J. Pérez-Jordá, 1999 .

Electronic distribution, position probability density and 'clouds of points'

J. Pérez-Jordá, 1989 .

Linear Scaling Methods for Electronic Structure Calculations

Weitao Yang, J. Pérez-Jordá, 2002 .

Nonorthogonal localized molecular orbitals in electronic structure theory

Shubin Liu, José M. Pérez-Jordá, Weitao Yang, 2000 .

Accurate molecular integrals and energies using combined plane wave and Gaussian basis sets in molecular electronic structure theory

J. Pérez-Jordá, 2014 .

A DFT study of analytical correlated densities

Á. Pérez‐Jiménez, J. Sancho‐García, J. Pérez-Jordá, 2000 .

On the scaling of multipole methods for particle–particle interactions

José M. Pérez-Jordá, Weitao Yang, Weitao Yang, 1998 .

A simple, efficient and more reliable scheme for automatic numerical integration

E. San-Fabián, J. Pérez-Jordá, 1993 .

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

J. Pérez-Jordá, 2014, Physical review. E, Statistical, nonlinear, and soft matter physics.

Applicability to atoms of a large set of correlation energy functinals

F. Moscardó, J. Pérez-Jordá, E. S. Fabián, 1994 .

On the accuracy of correlation energy calculated by the correlation factor method: first- and second-row atoms

F. Moscardó, E. San-Fabián, J. Pérez-Jordá, 1990 .

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

F. Moscardó, Á. Pérez‐Jiménez, J. Sancho‐García, 2001 .

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

Á. Pérez‐Jiménez, J. Sancho‐García, J. Pérez-Jordá, 2007, The Journal of chemical physics.

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

Á. Pérez‐Jiménez, J. Pérez-Jordá, L. Pastor-Abia, 2005, The Journal of chemical physics.

Mono and multiconfigurational wave functions with DFT correlation energy: the case of fluorine

E. San-Fabián, J. Pérez-Jordá, L. P. Abia, 2000 .

Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants

Francesc Illas, Ángel J. Pérez-Jiménez, Ibério de Pinho Ribeiro Moreira, 2007, J. Comput. Chem..

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

Á. Pérez‐Jiménez, J. Pérez-Jordá, 2007 .

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

F. Illas, Á. Pérez‐Jiménez, J. Pérez-Jordá, 2004, The Journal of chemical physics.

A density-functional study of van der Waals forces: rare gas diatomics.

José M. Pérez-Jordá, Axel D. Becke, A. Becke, 1995 .

Torsional potential of 4,4'-bipyridine: ab initio analysis of dispersion and vibrational effects.

Á. Pérez‐Jiménez, J. Sancho‐García, J. Pérez-Jordá, 2005, The Journal of chemical physics.

On the recursive solution of the quantum harmonic oscillator

J. Pérez-Jordá, 2017 .

Variational solution of the three-dimensional Schrödinger equation using plane waves in adaptive coordinates.

J. Pérez-Jordá, 2011, The Journal of chemical physics.

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

Á. Pérez‐Jiménez, J. Sancho‐García, J. Pérez-Jordá, 2002 .

New approach to the design of density functionals

F. Moscardó, Á. Pérez‐Jiménez, J. Sancho‐García, 2001 .

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

José M. Pérez-Jordá, J. Pérez-Jordá, 2017, Comput. Math. Appl..

Automatic numerical integration techniques for polyatomic molecules

Emilio San-Fabián, José M. Pérez-Jordá, Axel D. Becke, 1994 .

A simple, reliable and efficient scheme for automatic numerical integration

Federico Moscardó, Emilio San-Fabián, F. Moscardó, 1992 .

Torsional potential of 1,3-butadiene: ab initio calculations

F. Moscardó, Á. Pérez‐Jiménez, J. Sancho‐García, 2001 .

Characterizing conformers and torsional potentials of nitrosoformaldehyde and N-nitrosomethanimine

F. Moscardó, Á. Pérez‐Jiménez, J. Sancho‐García, 2001 .

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

J. Pérez-Jordá, 2010, The Journal of chemical physics.

Improvement of Multiconfigurational Wave Functions and Energies by Correlation Energy Functionals

F. Moscardó, Á. Pérez‐Jiménez, E. San-Fabián, 1998 .

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

J. Pérez-Jordá, 2019, International Journal of Quantum Chemistry.

Strategic Behavior and Information Transmission in a stylized (so-Called Chinos) Guessing Game

F. Vega-Redondo, E. Louis, E. San-Fabián, 2001, Adv. Complex Syst..

In-place self-sorting fast Fourier transform algorithm with local memory references

JoséM. Pérez-Jordá, J. Pérez-Jordá, 1998 .

A concise redefinition of the solid spherical harmonics and its use in fast multipole methods

José M. Pérez-Jordá, Weitao Yang, Weitao Yang, 1996 .

An algorithm for 3D numerical integration that scales linearly with the size of the molecule

Weitao Yang, Weitao Yang, J. Pérez-Jordá, 1995 .

A simple O(N log N) algorithm for the rapid evaluation of particle-particle interactions

Weitao Yang, Weitao Yang, J. Pérez-Jordá, 1995 .