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We present an approach for computing long-range van der Waals (vdW) interactions between complex molecular systems and arbitrarily shaped macroscopic bodies, melding atomistic treatments of electronic fluctuations based on density…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 Prashanth S. Venkataram , Jan Hermann , Alexandre Tkatchenko , Alejandro W. Rodriguez

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

It is an undisputed textbook fact that non-retarded van der Waals (vdW) interactions between isotropic dimers are attractive, regardless of the polarizability of the interacting systems or spatial dimensionality. The universality of vdW…

Mesoscale and Nanoscale Physics · Physics 2017-05-31 Mainak Sadhukhan , Alexandre Tkatchenko

Microscopic derivation of the Coulomb exchange interaction for electrons located on the nanotubes is presented. Our derivation is based on the many-particle quantum hydrodynamic method. We demonstrate the role of the curvature of the…

Plasma Physics · Physics 2015-07-08 P. A. Andreev , A. Yu. Ivanov

Dispersion interactions such as the van der Waals interaction between atoms or molecules derive from quantum fluctuations of the electromagnetic field and can be understood as the exchange of virtual photons between the interacting…

Quantum Physics · Physics 2015-06-11 Harald R. Haakh , Stefan Scheel

Due to a strong Coulomb interaction, excitons dominate the excitation kinetics in 2D materials. While Coulomb-scattering between electrons has been well studied, the interaction of excitons is more challenging and remains to be explored. As…

Materials Science · Physics 2021-01-27 Daniel Erkensten , Samuel Brem , Ermin Malic

Van der Waals interactions are ubiquitous and they play an important role for the stability of materials. Current understanding of this type of coupling is based on linear response theory, while optical nonlinearities are rarely considered…

Materials Science · Physics 2024-08-27 Dai-Nam Le , Pablo Rodriguez-Lopez , Lilia M. Woods

We address the issue of endemic electronic inhomogeneities in manganites using extensive simulations on a new model with Coulomb interactions amongst two electronic fluids, one localized (polaronic), the other extended (band-like), and…

Strongly Correlated Electrons · Physics 2007-05-23 Vijay B. Shenoy , Tribikram Gupta , H. R. Krishnamurthy , T. V. Ramakrishnan

Interactions induced by electromagnetic fluctuations, such as van der Waals and Casimir forces, are of universal nature present at any length scale between any types of systems with finite dimensions. Such interactions are important not…

Materials Science · Physics 2016-11-23 L. M. Woods , D. A. R. Dalvit , A. Tkatchenko , P. Rodriguez-Lopez , A. W. Rodriguez , R. Podgornik

We present a theoretical analysis of the effect of dielectric confinement on the Coulomb interaction in dielectrically modulated quantum structures. We discuss the implications of the strong enhancement of the electron-hole and…

Materials Science · Physics 2009-10-31 G. Goldoni , F. Rossi , A. Orlandi , M. Rontani , F. Manghi , E. Molinari

The one-- and two-- particle densities of up to four interacting electrons with spin, confined within a quasi one--dimensional ``quantum dot'' are calculated by numerical diagonalization. The transition from a dense homogeneous charge…

Condensed Matter · Physics 2009-10-22 K. Jauregui , W. Haeusler , B. Kramer , PTB Braunschweig

We theoretically investigate the effect of inter-molecular Coulomb interactions on transport through molecular monolayers (or other devices based on a large number of nanoscale conductors connected in parallel). Due to the interactions, the…

Mesoscale and Nanoscale Physics · Physics 2013-04-09 Martin Leijnse

We investigate the potential energy curves of rare-gas dimers with various ranges and strengths of interparticle interactions (nuclear-electron, electron-electron, and nuclear-nuclear interactions). Our investigation is based on the highly…

Chemical Physics · Physics 2016-02-05 Yu-Ting Chen , Kerwin Hui , Jeng-Da Chai

We examine the effects of electron-electron interactions on transport between edge states in a multilayer integer quantum Hall system. The edge states of such a system, coupled by interlayer tunneling, form a two-dimensional, chiral metal…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. W. Tomlinson , J. -S. Caux , J. T. Chalker

We computed the long-range interactions between two identical polar bialkali molecules in their rovibronic ground level, for all ten species involving Li, Na, K, Rb and Cs, using accurate quantum chemistry results combined with available…

Atomic Physics · Physics 2017-04-11 Maxence Lepers , Romain Vexiau , Mireille Aymar , Nadia Bouloufa-Maafa , Olivier Dulieu

We use path-integral Monte Carlo (PIMC) to study the effects of adding a long-range repulsive Coulomb interaction to the usual Van der Waals interaction between two atoms of a submonolayer quantum film such as helium on graphite or a pure…

Statistical Mechanics · Physics 2009-11-11 Keola Wierschem , Efstratios Manousakis

The density of states of the disordered s-wave superconductor is calculated perturbatively. The effect of Coulomb interaction on diffusively moving electrons in the normal state has been known before, but in the superconducting state both…

Superconductivity · Physics 2019-10-03 Takanobu Jujo

At reduced dimensionality, Coulomb interactions play a crucial role in determining device properties. While such interactions within the same carbon nanotube have been shown to have unexpected properties, device integration and…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Francois Leonard

We show that electrodynamic dipolar interactions, responsible for long-range fluctuations in matter, play a significant role in the stability of molecular crystals. Density functional theory calculations with van der Waals interactions…

The interplay of Coulomb and electron-phonon interactions with thermal and quantum fluctuations facilitates rich phase diagrams in two-dimensional electron systems. Layered transition metal dichalcogenides hosting charge, excitonic, spin…

Strongly Correlated Electrons · Physics 2018-07-03 E. G. C. P. van Loon , M. Rösner , G. Schönhoff , M. I. Katsnelson , T. O. Wehling
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