Search Results - "Gidopoulos, N I"
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Distinct magnetic phase transition at the surface of an antiferromagnet
Published in Physical review letters (25-04-2014)“…In the majority of magnetic systems the surface is required to order at the same temperature as the bulk. In the present Letter, we report a distinct and…”
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Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory
Published in The Journal of chemical physics (28-02-2010)“…We report a size-inconsistency problem for several functionals within reduced density matrix functional theory. Being explicit functionals of the natural…”
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3
Optimized effective potential using the Hylleraas variational method
Published in Physical review. B, Condensed matter and materials physics (15-06-2012)“…In electronic structure calculations the optimized effective potential (OEP) is a method that treats exchange interactions exactly using a local potential…”
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Ensemble-Hartree–Fock scheme for excited states. The optimized effective potential method
Published in Physica. B, Condensed matter (01-06-2002)“…We review the ensemble-Hartree–Fock (eHF) scheme for excited states. The single-particle eHF equations contain different potentials for the various orbitals,…”
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5
Spurious interactions, and their correction, in the ensemble-Kohn-Sham scheme for excited States
Published in Physical review letters (21-01-2002)“…We observe that the direct Coulomb (Hartree) term appearing in the ensemble-density-functional theory for excited states contains an unphysical ("ghost")…”
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6
A local Fock-exchange potential in Kohn-Sham equations
Published 14-10-2016“…We derive and employ a local potential to represent the Fock exchange operator in electronic single-particle equations. This local Fock-exchange (LFX)…”
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7
Distinct Magnetic Phase Transition at the Surface of an Antiferromagnet
Published in Physical review letters (25-04-2015)“…In the majority of magnetic systems the surface is required to order at the same temperature as the bulk. In the present Letter, we report a distinct and…”
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Effect of quantization of vibrations on the structural properties of crystals
Published 09-12-2008“…We study the structural effects produced by the quantization of vibrational degrees of freedom in periodic crystals at zero temperature. To this end we…”
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Comment on "High energy neutron scattering from hydrogen using a direct geometry spectrometer". C. Stock, R A Cowley, J W Taylor and S M Bennington [arXiv:0907.1945]
Published 23-07-2010“…The paper in the title [1] reports measurements of neutron scattering from hydrogen in the 1-100 eV range of energy transfers, using the direct geometry MARI…”
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Breakdown of the Born-Oppenheimer description explains neutron Compton-scattering anomaly
Published in Physical review. B, Condensed matter and materials physics (01-02-2005)“…Several neutron Compton scattering experiments reveal an apparent drop of the proton cross section when the collision time {tau}{sub q} is around 1 fs. Such…”
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Comment on “High-energy neutron scattering from hydrogen using a direct geometry spectrometer”
Published in Physical review. B, Condensed matter and materials physics (18-08-2011)Get full text
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Unconstrained Variational Determination of the Kohn-Sham Potential
Published 10-03-2006“…Density Functional Theory's Kohn-Sham (KS) potential emerges as the minimizing effective potential in an unconstrained variational scheme that does not involve…”
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Second virial coefficient of the interacting anyon gas
Published in Physical review. B, Condensed matter (01-03-1994)Get full text
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