ANGEL JOSE PEREZ JIMENEZ-rekin lankidetzan egindako argitalpenak (12)

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

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

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

2000

  1. A DFT study of analytical correlated densities

    Chemical Physics Letters, Vol. 331, Núm. 1, pp. 101-107

1999

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

    Journal of Chemical Physics, Vol. 110, Núm. 4, pp. 1916-1920

1998

  1. Improvement of multiconfigurational wave functions and energies by correlation energy functionals

    Journal of Physical Chemistry A, Vol. 102, Núm. 52, pp. 10900-10902