University of Oxford-ko ikertzaileekin lankidetzan egindako argitalpenak (25)

2016

  1. Systematic construction of density functionals based on matrix product state computations

    New Journal of Physics, Vol. 18, Núm. 8

2015

  1. Can Cooper pairs in benzene lead to Efimov states?

    Molecular Physics, Vol. 113, Núm. 3-4, pp. 294-296

  2. Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation

    Physical Review B - Condensed Matter and Materials Physics, Vol. 91, Núm. 16

2014

  1. Are there really cooper pairs and persistent currents in aromatic molecules?

    International Journal of Quantum Chemistry, Vol. 114, Núm. 7, pp. 437-440

  2. First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory

    Physical Review B - Condensed Matter and Materials Physics, Vol. 90, Núm. 8

2013

  1. A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms

    Journal of Mathematical Chemistry, Vol. 51, Núm. 2, pp. 763-773

  2. Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions

    Journal of Mathematical Chemistry, Vol. 51, Núm. 5, pp. 1462-1466

  3. Recent progress in low-order density matrix theory of inhomogeneous electron liquids by exact solution of two- and four-electron model atoms

    Physics and Chemistry of Liquids, Vol. 51, Núm. 1, pp. 1-9

  4. Solvent-mediated folding of dicarboxylate dianions: Aliphatic chain length dependence and origin of the IR intensity quenching

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 47, pp. 20463-20472

2012

  1. Four electrons interacting pairwise in the limit of infinitesimal confining potentials: Especially the quintet spin state

    Chemical Physics Letters, Vol. 536, pp. 162-164

2011

  1. Structural and electronic properties of low-dimensional c-nanoassemblies and possible analogues for Si (and Ge)

    Journal of Nanomaterials, Vol. 2011

2009

  1. A dynamic landscape from femtoseconds to minutes for excess electrons at ice - metal interfaces

    Journal of Physical Chemistry C, Vol. 113, Núm. 3, pp. 979-988

  2. Density-matrix theory for the ground state of spin-compensated harmonically confined two-electron model atoms with general interparticle repulsion

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 80, Núm. 3

  3. Differential virial theorem in relation to a sum rule for the exchange¬correlation force in density-functional theory

    Many-body Theory Of Molecules, Clusters And Condensed Phases (World Scientific Publishing Co. Pte. Ltd.), pp. 702-705

2007

  1. Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement

    Physics Letters, Section A: General, Atomic and Solid State Physics, Vol. 370, Núm. 5-6, pp. 509-511

  2. Momentum density and spatial form of correlated density matrix in model two-electron atoms with harmonic confinement

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 76, Núm. 3

2006

  1. Electronic kinetic energy decrease as two metallic parallel C nanotubes are brought together from infinity

    Physics Letters, Section A: General, Atomic and Solid State Physics, Vol. 358, Núm. 5-6, pp. 334-335

2005

  1. Differential virial theorem in relation to a sum rule for the exchange-correlation force in density-functional theory

    Journal of Chemical Physics, Vol. 123, Núm. 19

2004

  1. Change in analytic structure of first-order density matrix as a functional of electron density due to inter-particle correlation: A two-electron model example

    Chemical Physics Letters, Vol. 398, Núm. 4-6, pp. 445-448

2003

  1. Coulomb explosion of deuterium cationic clusters

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 68, Núm. 6, pp. 4