Publicaciones en colaboración con investigadoras/es de University of Oxford (5)

2016

  1. Chemical and ionization potentials: Relation via the Pauli potential and NOF theory

    International Journal of Quantum Chemistry, Vol. 116, Núm. 11, pp. 805-818

  2. Potential energy curves for P2 and P2 + constructed from a strictly N-representable natural orbital functional

    Physics and Chemistry of Liquids, Vol. 54, Núm. 6, pp. 797-801

2015

  1. Is the Hartree-Fock prediction that the chemical potential µ of non-relativistic neutral atoms is equal to minus the ionisation potential I sensitive to electron correlation?

    Physics and Chemistry of Liquids, Vol. 53, Núm. 6, pp. 696-705

  2. Low-Lying Isomers of Free-Space Halogen Clusters with Tetrahedral and Octahedral Symmetry in Relation to Stable Molecules Such as SF6

    Journal of Physical Chemistry A, Vol. 119, Núm. 40, pp. 10190-10194

2014

  1. Weizsäcker inhomogeneity kinetic energy term for the inhomogeneous electron liquid characterising some 30 homonuclear diatomic molecules at equilibrium and insight into Teller’s theorem in Thomas–Fermi statistical theory

    Physics and Chemistry of Liquids, Vol. 52, Núm. 6, pp. 804-814