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A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first…

Materials Science · Physics 2009-11-10 Jose M. Soler

This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure…

Strongly Correlated Electrons · Physics 2009-04-22 S Chadov , G. H. Fecher , C. Felser , J. Minár , J. Braun , H. Ebert

The "density-density" correlation function of conduction electrons in metal is investigated. It is shown, that the asymptotic behaviour of the CF depends on the shape and the local geometry of the Fermi surface. In particular, the exponent…

Condensed Matter · Physics 2009-10-22 D. I. Golosov , M. I. Kaganov

The time-dependent exchange-correlation potential has an unusual task in directing fictitious non-interacting electrons to move with exactly the same probability density as true interacting electrons. This has intriguing implications for…

Chemical Physics · Physics 2024-06-19 Davood Dar , Lionel Lacombe , Neepa T. Maitra

The Hamiltonian conservative system of two interacting particles has been considered both in classical and quantum description. The quantum model has been realized using a symmetrized two-particle basis reordered in the unperturbed energy.…

chao-dyn · Physics 2009-10-30 Fausto Borgonovi , Italo Guarneri , Felix Izrailev

The effects of dynamic localization in a solid-state system -- a quantum dot -- are considered. The theory of weak dynamic localization is developed for non-interacting electrons in a closed quantum dot under arbitrary time-dependent…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 V. E. Kravtsov

We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…

Mesoscale and Nanoscale Physics · Physics 2012-05-30 Ilja Makkonen , Mikko M. Ervasti , Ville Kauppila , Ari Harju

We study the (de)localization phenomena of one-component lattice fermions in spin backgrounds. The O(3) classical spin variables on sites fluctuate thermally through the ordinary nearest-neighbor coupling. Their complex two-component…

Strongly Correlated Electrons · Physics 2018-11-21 Tetsuya Takaishi , Kazuhiko Sakakibara , Ikuo Ichinose , Tetsuo Matsui

Hybridized molecule/metal interfaces are ubiquitous in molecular and organic devices. The energy level alignment (ELA) of frontier molecular levels relative to the metal Fermi level (EF) is critical to the conductance and functionality of…

Materials Science · Physics 2017-07-03 Yifeng Chen , Isaac Tamblyn , Su Ying Quek

Electrostatic correlations play an important role in physics, chemistry and biology. In plasmas they lead to thermodynamic instability similar to the liquid-gas phase transition of simple molecular fluids. For charged colloidal suspensions…

Soft Condensed Matter · Physics 2009-11-07 Yan Levin

The influence of inner electrons on the ionization dynamics in strong laser fields is investigated in a wavelength regime where the inner electron dynamics is usually assumed to be negligible. The role of inner electrons is of particular…

Atomic Physics · Physics 2014-03-11 J. Rapp , D. Bauer

The strength of electronic correlation effects in the spin-dependent electronic structure of ferromagnetic bcc Fe(110) has been investigated by means of spin and angle-resolved photoemission spectroscopy. The experimental results are…

The effect of electron correlation on the angle dependence of magnetoconductivity is studied in quasi-one-dimensional organic conductors. We investigated the effect on the basis of the momentum dependence of both quasi-particle's lifetime…

Strongly Correlated Electrons · Physics 2007-05-23 Hirono Kaneyasu , Keita Kishigi , Yasumasa Hasegawa

Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…

Materials Science · Physics 2024-01-05 David J. Abramovitch , Jin-Jian Zhou , Jernej Mravlje , Antoine Georges , Marco Bernardi

Three new measures of relative electron motion are introduced: equimomentum, antimomentum, and momentum-balance. The equimomentum is the probability that two electrons have the exact same momentum, whereas the antimomentum is the…

Chemical Physics · Physics 2021-03-17 Lucy G. Todd , Joshua W. Hollett

The time dependent quantum Monte Carlo method for fermions is introduced and applied for calculation of entanglement of electrons in one-dimensional quantum dots with several spin-polarized and spin-compensated electron configurations. The…

Quantum Physics · Physics 2021-07-09 Ivan P. Christov

Recent studies of pairing and charge order in materials such as FeSe, SrTiO$_3$, and 2H-NbSe$_2$ have suggested that momentum dependence of the electron-phonon coupling plays an important role in their properties. Initial attempts to study…

Strongly Correlated Electrons · Physics 2019-05-30 Bo Xiao , F. Hébert , G. Batrouni , R. T. Scalettar

Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions, flexible enough to deal with all sorts of transformations, ranging from electronic excitations, to open-shell…

Chemical Physics · Physics 2024-05-07 Kalman Szenes , Maximilian Moerchen , Paul Fischill , Markus Reiher

Electron localization property of a random chain changing under the influence of a constant electric field has been studied. We have adopted the multifractal scaling formalism to explore the possible localization behavior in the system. We…

Disordered Systems and Neural Networks · Physics 2009-10-31 Parthapratim Biswas , Prabhat K Thakur

Modifications of spin-splitting dispersion relations and density of states for electrons in non-symmetric heterostructures under in-plane magnetic field are studied within the envelope function formalism. Spin-orbit interactions, caused by…

Materials Science · Physics 2009-11-11 A. Hernandez-Cabrera , P. Aceituno , F. T. Vasko
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