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The structure and stability of atomic and molecular systems with van der Waals (vdW) bonding are often determined by the interplay between attractive dispersion interactions and repulsive interactions caused by electron confinement. Arising…

Chemical Physics · Physics 2022-02-17 Ornella Vaccarelli , Dmitry V. Fedorov , Martin Stöhr , Alexandre Tkatchenko

We examine the recently derived quantum-mechanical relation between atomic polarizabilities and equilibrium internuclear distances in van der Waals (vdW) bonded diatomic systems [Phys. Rev. Lett. {\bf 121}, 183401 (2018)]. For homonuclear…

Chemical Physics · Physics 2020-07-08 Alexandre Tkatchenko , Dmitry V. Fedorov

Within the frame of macroscopic quantum electrodynamics in causal media, the van der Waals interaction between an atomic system and an arbitrary arrangement of dispersing and absorbing dielectric bodies including metals is studied. It is…

Quantum Physics · Physics 2007-05-23 Stefan Yoshi Buhmann , Ho Trung Dung , Dirk-Gunnar Welsch

The van der Waals interaction between two polarizable atoms is considered. In three dimensions the standard form with an attractive $1/|R|^6$ potential is obtained from second-order quantum perturbation theory. When the electron motion is…

Quantum Physics · Physics 2015-01-22 A. C. Ipsen , K. Splittorff

The van der Waals potential of two atoms in the presence of an arbitrary arrangement of dispersing and absorbing magnetodielectric bodies is studied. Starting from a polarizable atom placed within a given geometry, its interaction with a…

Quantum Physics · Physics 2007-09-11 Stefan Yoshi Buhmann , Hassan Safari , Ho Trung Dung , Dirk-Gunnar Welsch

The 1%-accurate calculations of the van der Waals interaction between an atom and a cavity wall are performed in the separation region from 3 nm to 150 nm. The cases of metastable He${}^{\ast}$ and Na atoms near the metal, semiconductor or…

Quantum Physics · Physics 2009-11-11 A. O. Caride , G. L. Klimchitskaya , V. M. Mostepanenko , S. I. Zanette

A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar…

Materials Science · Physics 2009-04-20 Huy-Viet Nguyen , Stefano de Gironcoli

Repulsive short-range and attractive long-range van der Waals (vdW) forces have an appreciable role in the behavior of extended molecular systems. When using empirical force fields - the most popular computational methods applied to such…

Chemical Physics · Physics 2023-09-27 Almaz Khabibrakhmanov , Dmitry V. Fedorov , Alexandre Tkatchenko

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

Polarizability is a key response property of physical and chemical systems, which has an impact on intermolecular interactions, spectroscopic observables, and vacuum polarization. The calculation of polarizability for quantum systems…

Van der Waals interactions between two neutral but polarizable systems at a separation $R$ much larger than the typical size of the systems are at the core of a broad sweep of contemporary problems in settings ranging from atomic, molecular…

High Energy Physics - Phenomenology · Physics 2017-06-14 Nora Brambilla , Vladyslav Shtabovenko , Jaume Tarrús Castellà , Antonio Vairo

A systematic study of the leading isotropic van der Waals coefficients for the alkali-metal atom + molecule and molecule + molecule systems is presented. Dipole moments and static and dynamic dipole polarizabilities are calculated employing…

Atomic Physics · Physics 2013-02-22 P. S. Zuchowski , M. Kosicki , M. Kodrycka , P. Soldan

The van der Waals interaction between two ground-state atoms is calculated for two electrically or magnetically polarizable particles embedded in a dispersive magneto-dielectric medium. Unlike previous calculations which infer the atom-atom…

Quantum Physics · Physics 2009-11-13 S. Spagnolo , D. A. R. Dalvit , P. W. Milonni

We study single- and two-atom van der Waals interactions of ground-state atoms which are both polarizable and paramagnetizable in the presence of magneto-electric bodies within the framework of macroscopic quantum electrodynamics. Starting…

Quantum Physics · Physics 2010-01-04 Hassan Safari , Dirk-Gunnar Welsch , Stefan Yoshi Buhmann , Stefan Scheel

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

The Casimir-Polder and van der Waals interactions between an atom and a flat cavity wall are investigated under the influence of real conditions including the dynamic polarizability of the atom, actual conductivity of the wall material and…

Quantum Physics · Physics 2009-03-27 V. M. Mostepanenko , J. F. Babb , A. O. Caride , G. L. Klimchitskaya , S. I. Zanette

We investigate the influence of the appearance of excitonic states on van der Waals interactions among two Rydberg atoms. The atoms are assumed to be in different Rydberg states, e.g., in the $|ns\rangle$ and $|np\rangle$ states. The…

Atomic Physics · Physics 2015-08-12 Hashem Zoubi

Understanding static and dynamic phenomena in complex materials at different length scales requires reliably accounting for van der Waals (vdW) interactions, which stem from long-range electronic correlations. While the important role of…

Materials Science · Physics 2022-03-23 Paul Hauseux , Alberto Ambrosetti , Stéphane P. A. Bordas , Alexandre Tkatchenko

The long-range part of the interatomic interactions plays a substantial role in the collisional dynamics of ultracold gases. Here, we report on the calculation of the isotropic and anisotropic $C_6$ coefficients characterizing the van der…

Atomic Physics · Physics 2024-01-24 Klaudia Zaremba-Kopczyk , Michał Tomza , Maxence Lepers

Using fourth-order perturbation theory, a general formula for the van der Waals potential of two neutral, unpolarized, ground-state atoms in the presence of an arbitrary arrangement of dispersing and absorbing magnetodielectric bodies is…

Quantum Physics · Physics 2007-05-23 Hassan Safari , Stefan Yoshi Buhmann , Dirk-Gunnar Welsch , Ho Trung Dung
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