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The van der Waals coefficients for the alkali-metal atoms from Na to Fr interacting in their ground states, are calculated using relativistic ab initio methods. The accuracy of the calculations is estimated by also evaluating atomic static…

Atomic Physics · Physics 2007-05-23 A. Derevianko , W. R. Johnson , M. S. Safronova , J. F. Babb

In this paper we employ two distinct approaches - all-electron \textit{ab initio} method and the spherical jellium background model- within time dependent density functional theory to calculate the long range dipole-dipole dispersion…

Atomic and Molecular Clusters · Physics 2008-01-10 Arup Banerjee , Manoj K. Harbola

Accurate treatment of the long-range electron correlation energy, including van der Waals (vdW) or dispersion interactions, is essential for describing the structure, dynamics, and function of a wide variety of systems. Among the most…

Computational Physics · Physics 2016-05-19 Martin A. Blood-Forsythe , Thomas Markovich , Robert A. DiStasio , Roberto Car , Alán Aspuru-Guzik

The dispersion interaction between a pair of parallel DNA double-helix structures is investigated by means of the van der Waals density functional (vdW-DF) method. Each double-helix structure consists of an infinite repetition of one B-DNA…

Soft Condensed Matter · Physics 2013-04-09 Elisa Londero , Per Hyldgaard , Elsebeth Schroder

We study the repulsive van der Waals interaction of cold rubidium $70S_{1/2}$ Rydberg atoms by analysis of time-delayed pair correlation functions. After excitation, Rydberg atoms are allowed to accelerate under the influence of the van der…

Atomic Physics · Physics 2016-11-16 N. Thaicharoen , A. Schwarzkopf , G. Raithel

We analyze van der Waals interactions between two rigid polymers with sequence-specific, anisotropic polarizabilities along the polymer backbones, so that the dipole moments fluctuate parallel to the polymer backbones. Assuming that each…

Soft Condensed Matter · Physics 2020-10-01 Bing-Sui Lu , Ali Naji , Rudolf Podgornik

Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemical effects, especially if those interactions involve many fluctuating electrons over large spatial scales. Here, we identify and study in…

The van der Waals interactions between two parallel graphitic nanowiggles (GNWs) are calculated using the coupled dipole method (CDM). The CDM is an efficient and accurate approach to determine such interactions explicitly by taking into…

Mesoscale and Nanoscale Physics · Physics 2013-07-29 Anh D. Phan , Lilia M. Woods , The-Long Phan

We calculate the van der Waals friction between two semi-infinite solids in normal relative motion and find a drastic difference in comparison with the parallel relative motion. The case of the good conductors is investigated in details…

Materials Science · Physics 2009-11-11 A. I. Volokitin , B. N. J. Persson

We calculate the non-retarded dispersion force exerted on an electrically polarizable quantum particle by a perfectly conducting toroid, which is one of the most common objects exhibiting a non-trivial topology. We employ a convenient…

Quantum Physics · Physics 2021-08-26 P. P. Abrantes , Yuri França , Reinaldo de Melo e Souza , F. S. S. da Rosa , C. Farina

We predict a discriminatory interaction between a chiral molecule and an achiral molecule which is mediated by a chiral body. To achieve this, we generalize the van der Waals interaction potential between two ground-state molecules with…

Quantum Physics · Physics 2017-05-19 Pablo Barcellona , Hassan Safari , A. Salam , Stefan Yoshi Buhmann

A local approximation for dynamic polarizability leads to a nonlocal functional for the long-range dispersion interaction energy via an imaginary-frequency integral. We analyze several local polarizability approximations and argue that the…

Chemical Physics · Physics 2015-03-17 Oleg A. Vydrov , Troy Van Voorhis

Using the general expressions for level shifts obtained from the master equation for a small system interacting with a large one considered as a reservoir, we calculate the dispersive potentials between an atom and a wall in the dipole…

Quantum Physics · Physics 2009-11-13 T. N. C. Mendes , C. Farina

On the basis of a general formula obtained earlier via fourth-order erturbation theory within the framework of macroscopic quantum electrodynamics, the van der Waals potential between two neutral, unpolarized, ground-state atoms in the…

Quantum Physics · Physics 2008-08-14 Hassan Safari , Dirk-Gunnar Welsch , Ho Trung Dung , Stefan Yoshi Buhmann

Dipolar relaxation happens when one or both colliding atoms flip their spins exothermically inside a magnetic ($B$) field. This work reports precise measurements of dipolar relaxation in a Bose-Einstein condensate of ground state $^{87}$Rb…

Quantum Gases · Physics 2021-01-28 Yuan-Gang Deng , Yi-Quan Zou , Gao-Ren Wang , Qi Liu , Su Yi , Meng Khoon Tey , Li You

A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…

Materials Science · Physics 2025-02-04 Diem Thi-Xuan Dang , Dai-Nam Le , Lilia M. Woods

We consider a chain of regularly-spaced spherical metallic nanoparticles, where each particle supports three degenerate localized surface plasmons. Due to the dipolar interaction between the nanoparticles, the localized plasmons couple to…

Mesoscale and Nanoscale Physics · Physics 2017-12-11 Charles A. Downing , Eros Mariani , Guillaume Weick

Dispersion interactions are usually derived assuming fixed internal spectra of the interacting quantum systems. Here, we relax this assumption and study how self-consistent electromagnetic backaction modifies van der Waals interactions when…

Quantum Physics · Physics 2026-05-06 Johannes Fiedler

In a framework for long-range density-functional theory we present a unified full-field treatment of the asymptotic van der Waals interaction for atoms, molecules, surfaces, and other objects. The only input needed consists of the electron…

Condensed Matter · Physics 2009-10-31 Erika Hult , Henrik Rydberg , Bengt I. Lundqvist , David C. Langreth

van der Waals interactions govern the physics of a plethora of molecular structures. It is well known that the leading term in the distance-based London expansion of the van der Waals energy for atomic and molecular dimers decays as…

Chemical Physics · Physics 2017-11-22 Mireia Via-Nadal , Mauricio Rodríguez-Mayorga , Eduard Matito