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We show that as an electron transfers between closed-shell molecular fragments at large separation, the exact correlation potential of time-dependent density functional theory gradually develops a step and peak structure in the bonding…

Chemical Physics · Physics 2014-02-11 Johanna I. Fuks , Peter Elliott , Angel Rubio , Neepa T. Maitra

We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…

Strongly Correlated Electrons · Physics 2010-02-25 E. Rasanen , S. Pittalis

Confinement can have a dramatic effect on the behavior of all sorts of particulate systems and it therefore is an important phenomenon in many different areas of physics and technology. Here, we investigate the role played by the softness…

An approach is proposed which allows to self-consistently calculate the structural and thermodynamic properties of highly charged aqueous colloidal suspensions. The method is based on the renormalized Jellium model with the background…

Soft Condensed Matter · Physics 2009-10-27 Thiago E. Colla , Yan Levin , E. Trizac

Strong short ranged positional correlations involving counterions can induce a net attractive force between negatively charged strands of DNA, and lead to the formation of ion pairs in dilute ionic solutions. But the long range of the…

Statistical Mechanics · Physics 2009-11-11 Yng-Gwei Chen , John D. Weeks

In this work we investigate a low dimensional semiconductor system, in which the light-matter interaction is enhanced by the cooperative behavior of a large number of dipolar oscillators, at different frequencies, mutually phase locked by…

Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this paper, we first briefly revisit its definition and relation to…

Chemical Physics · Physics 2024-01-15 JingChun Wang , Yu Su , Haoyang Cheng , Yao Wang , Rui-Xue Xu

Strong coupling phenomena, such as the like charged macroions attraction, opposite charged macroions repulsion, charge renormalization or charge inversion, are known to be mediated by multivalent counterions. Most theories treat the…

Soft Condensed Matter · Physics 2016-02-03 Sandipan Dutta , Y. S. Jho

The presence of energy shells in metallic clusters and atomic nuclei leads to a peculiar relation between the number of particles N and the structure, and this leads to a strong correlation between the energy spectrum and N. An analysis of…

Mesoscale and Nanoscale Physics · Physics 2011-11-10 V. Z. Kresin , J. Friedel

We study the charge-density dynamics within the two-dimensional extended Hubbard model in the presence of long-range Coulomb interaction across the metal-insulator transition point. To take into account strong correlations we start from…

Strongly Correlated Electrons · Physics 2014-12-24 E. G. C. P. van Loon , H. Hafermann , A. I. Lichtenstein , A. N. Rubtsov , M. I. Katsnelson

We study thermal equilibrium of classical pointlike counterions confined between symmetrically charged walls at distance $d$. At very large couplings when the counterion system is in its crystal phase, a harmonic expansion of particle…

Soft Condensed Matter · Physics 2019-01-21 L. Samaj , M. Trulsson , E. Trizac

We review the latest variational calculations of the ground state properties of doubly closed shell nuclei, from $^{12}$C to $^{208}$Pb, with semirealistic and realistic two- and three-nucleon interactions. The studies are carried on within…

Nuclear Theory · Physics 2011-04-15 A. Fabrocini , F. Arias de Saavedra , G. P. Co'

The "melting" of self-formed rigid structures made of a small number of interacting classical particles confined in an irregular two-dimensional space is investigated using Monte Carlo simulations. It is shown that the interplay of…

Disordered Systems and Neural Networks · Physics 2013-06-13 Dyuti Bhattacharya , Amit Ghosal

We study systems of two identical dipolar particles confined in quasi one-dimensional harmonic traps. Numerical results for the dependencies of the entanglement on the control parameters of the systems are provided and discussed in detail.…

Quantum Physics · Physics 2020-01-07 Przemyslaw Koscik

The question of classicality is addressed in relation with the shape of the nuclear skeleton of molecular systems. As the most natural environment, the electrons of the molecule are considered as continuously monitoring agents for the…

Quantum Physics · Physics 2021-01-05 Edit Matyus , Patrick Cassam-Chenai

Room-temperature Coulomb blockade of charge transport through composite nanostructures containing organic inter-links has recently been observed. A pronounced charging effect in combination with the softness of the molecular links implies…

Condensed Matter · Physics 2009-10-30 L. Y. Gorelik , A. Isacsson , M. V. Voinova , B. Kasemo , R. I. Shekhter , M. Jonson

Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…

Chemical Physics · Physics 2025-03-12 Moritz Gubler , Moritz R. Schäfer , Jörg Behler , Stefan Goedecker

Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally…

Chemical Physics · Physics 2017-05-01 Caleb J. Ball , Pierre-François Loos , P. M. W. Gill

The present review summarizes and assesses recent theoretical and experimental advances, with special emphasis on the effective interaction between charge-stabilized colloids, in the bulk or in confined geometries, and on the ambiguities of…

Soft Condensed Matter · Physics 2015-06-24 J. -P. Hansen , H. Lowen

For a capacitor made of a semiconducting carbon nanotube (CNT) suspended above a metallic gate, Coulomb correlations between individual electrons can lead to a capacitance that is much larger than the geometric capacitance. We argue that…

Strongly Correlated Electrons · Physics 2015-04-22 Han Fu , B. I. Shklovskii , Brian Skinner
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