Results 21 to 30 of about 1,054,616 (313)

Electron localisation in static and time-dependent one-dimensional model systems [PDF]

, 2018
Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can vary ...
Durrant, T. R., Godby, R. W., Hodgson, M. J. P., Ramsden, J. D.   +3 more
core   +3 more sources

Electron Localization Function as Information Measure

The Journal of Physical Chemistry A, 2005
The conditional two-electron probability function, which defines the electron localization function (ELF) of Becke and Edgecombe in the Kohn-Sham theory, is interpreted as the nonadditive (interorbital) Fisher information contained in the electron distribution.
Nalewajski, Roman, Köster, Andreas M., Escalante, Sigfrido   +2 more
openaire   +3 more sources

Electron transport and energy relaxation in dilute magnetic alloys [PDF]

, 2003
We consider the effect of the RKKY interaction between magnetic impurities on the electron relaxation rates in a normal metal. The interplay between the RKKY interaction and the Kondo effect may result in a non-monotonic temperature dependence of the ...
A. I. Larkin, A. Kaminski, A.A. Bobkov, A.I. Larkin, A.I. Larkin, B.A. Jones, B.L. Altshuler, B.L. Altshuler, F. Pierre, F. Schopfer, G. Göppert, I. Affleck, I.L. Aleiner, J.A. Hertz, J.S. Schilling, L. I. Glazman, M. G. Vavilov, M.G. Vavilov, O. Laborde, P. Mohanty, P. Nozières, P.J. Ford, P.J. Ford, S. Hikami, U. Larsen, V. Barzykin, V. Chandrasekhar, V.I. Fal’ko, V.M. Galitski, W. Wei, W.J. de Haas   +30 more
core   +1 more source

Quantum theory of atoms in molecules, electron localization function, and localized-orbital locator investigations on trans-(NHC)PtI2(para-NC5H4X) complexes

, 2020
In this study, the MPW1PW91 method is applied to analyze the quantum theory of atoms in molecules, the electron localization function, and the localized-orbital locator in trans-(NHC)PtI2(para-NC5H4X) (X = H, F, COOH, CN, NO2, Me, OH, NH2) complexes. The
Sarvin Hossien Saraf, R. Ghiasi
semanticscholar   +1 more source

Localization-delocalization transition in one-dimensional electron systems with long-range correlated disorder [PDF]

, 2004
We investigate localization properties of electron eigenstates in one-dimensional (1d) systems with long-range correlated diagonal disorder. Numerical studies on the localization length $\xi$ of eigenstates demonstrate the existence of the localization ...
Nakayama, T., Nomura, T., Shima, H.
core   +2 more sources

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account

Molecules, 2019
Noble gases (Ngs) are the least reactive elements in the periodic table towards chemical bond formation when compared with other elements because of their completely filled valence electronic configuration.
Ranajit Saha, Gourhari Jana, Sudip Pan, Gabriel Merino, Pratim Kumar Chattaraj   +4 more
doaj   +1 more source

Optical response, lithiation and charge transfer in Sn-based 211 MAX phases with electron localization function

Journal of Materials Research and Technology, 2022
In this study, optical response, lithiation and charge transfer in existing M2SnC MAX phases with electron localization function (ELF) were investigated for the first time using the density functional theory (DFT).
M.A. Hadi, N. Kelaidis, P.P. Filippatos, S.-R.G. Christopoulos, A. Chroneos, S.H. Naqib, A.K.M.A. Islam   +6 more
doaj   +1 more source

Landau levels, edge states and magneto-conductance in GaAs/AlGaAs core-shell nanowires [PDF]

, 2013
Magnetic states of the electron gas confined in modulation-doped core-shell nanowires are calculated for a transverse field of arbitrary strength and orientation. Magneto-conductance is predicted within the Landauer approach.
Bertoni, Andrea, Goldoni, Guido, Royo, Miquel   +2 more
core   +2 more sources

Bonding Analysis of Compounds with Unusual Coordination of Carbon: Proposed Symmetric Systems with Six-Coordinate Carbon

Molecules, 2020
The possibility of carbon tetravalence in geometries other than tetrahedral and of carbon hypervalence has been taken seriously since the 1970s. Computational modeling and subsequent experimental validation have established the existence of molecules ...
Carl Trindle, Zikri Altun, Erdi Ata Bleda   +2 more
doaj   +1 more source

Approaching Disordered Quantum Dot Systems by Complex Networks with Spatial and Physical-Based Constraints

Nanomaterials, 2021
This paper focuses on modeling a disordered system of quantum dots (QDs) by using complex networks with spatial and physical-based constraints. The first constraint is that, although QDs (=nodes) are randomly distributed in a metric space, they have to ...
Lucas Cuadra, José Carlos Nieto-Borge
doaj   +1 more source