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The processing and material properties of commercial organic semiconductors, for e.g. fullerenes is largely controlled by their precise arrangements, specially intermolecular symmetries, distances and orientations, more specifically,…

Mesoscale and Nanoscale Physics · Physics 2020-12-02 Saunak Das , Johannes Fiedler , Oliver Staufert , Michael Walter , Stefan Yoshi Buhmann , Martin Presselt

One-dimensional systems, such as nanowires or electrons moving along strong magnetic field lines, have peculiar thermalization physics. The binary collision of point-like particles, typically the dominant process for reaching thermal…

Atomic Physics · Physics 2024-07-10 M. Eltohfa , Xinghan Wang , Colton M. Griffin , F. Robicheaux

The atomic dipole polarizability, $\alpha$, and the van der Waals (vdW) radius, $R_{\rm vdW}$, are two key quantities to describe vdW interactions between atoms in molecules and materials. Until now, they have been determined independently…

Chemical Physics · Physics 2018-11-07 Dmitry V. Fedorov , Mainak Sadhukhan , Martin Stöhr , Alexandre Tkatchenko

We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density functional [M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)]. We use this potential…

Materials Science · Physics 2011-11-09 T. Thonhauser , Valentino R. Cooper , Shen Li , Aaron Puzder , Per Hyldgaard , David C. Langreth

We calculate the long-range Vanderwaals force and the photoelectric cross section in a \nc set up. While we argue that non-commutativity effects could not be discerned for the Vanderwaals interactions, the result for the photoelectric…

High Energy Physics - Phenomenology · Physics 2007-08-13 K. Li , N. Chamoun

We explore the three-body problem in two dimensions using the adiabatic hyperspherical representation. We develop the main equations in terms of democratic hyperangular coordinates and determine several symmetry properties and boundary…

Quantum Physics · Physics 2015-06-19 J. P. D'Incao , B. D. Esry

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

Within the hyperspherical harmonics approach the three-body problem is reduced to a motion of one effective particle in a "strongly deformed" field, which is described in coupled-channel formalism. This method is especially suited to…

Nuclear Theory · Physics 2019-07-26 O. M. Sukhareva , L. V. Grigorenko , D. A. Kostyleva , M. V. Zhukov

Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions and near degeneracy static correlations. In this work we analyze for a one-dimensional model of a…

Chemical Physics · Physics 2014-05-13 K. J. H. Giesbertz , R. van Leeuwen

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

Long range electrostatic, induction and dispersion coefficients including terms of order $R^{-8}$ have been calculated by the sum over states method using time dependent density functional theory. We also computed electrostatic moments and…

Chemical Physics · Physics 2015-06-05 Jason N. Byrd , John A. Montgomery , Robin Côté

We derive a novel formulation for the interaction potential between deformable fibers due to short-range fields arising from intermolecular forces. The formulation improves the existing section-section interaction potential law for in-plane…

Computational Engineering, Finance, and Science · Computer Science 2024-04-09 A. Borković , M. H. Gfrerer , R. A. Sauer , B. Marussig , T. Q. Bui

We consider the scattering of $n$ classical particles interacting via pair potentials, under the assumption that each pair potential is "long-range", i.e. being of order ${\cal O}(r^{-\alpha})$ for some $\alpha >0$. We define and focus on…

Dynamical Systems · Mathematics 2021-11-17 Jacques Féjoz , Andreas Knauf , Richard Montgomery

On the basis of extensive numerical studies it is argued that there are strong analogies between the probabilistic behavior of quantum systems defined by Hermitian Hamiltonians and the deterministic behavior of classical mechanical systems…

High Energy Physics - Theory · Physics 2010-05-28 Carl M. Bender , Dorje C. Brody , Daniel W. Hook

Inspired by the recent developments in the study of the thermodynamics of van der Waals fluids via the theory of nonlinear conservation laws and the description of phase transitions in terms of classical (dissipative) shock waves, we…

Exactly Solvable and Integrable Systems · Physics 2016-08-24 Francesco Giglio , Giulio Landolfi , Antonio Moro

For over a century, termolecular, or third order, chemical reactions have been explained by the Lindemann Hinshelwood mechanism, assuming sequential stabilization via bimolecular encounters. Here, we demonstrate that barrierless…

Atomic Physics · Physics 2026-04-07 Rian Koots , Marjan Mirahmadi , Jesús Pérez-Ríos

Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron…

Materials Science · Physics 2009-11-11 Janos G. Angyan , Iann C. Gerber , Andreas Savin , Julien Toulouse

Noncovalent van der Waals (vdW) interactions are responsible for a wide range of phenomena in matter. Popular density-functional methods that treat vdW interactions use disparate physical models for these intricate forces, and as a result…

Materials Science · Physics 2020-04-15 Jan Hermann , Alexandre Tkatchenko

We review the screening nature and many-body physics foundation of the van der Waals density functional (vdW-DF) method, a systematic approach to construct truly nonlocal exchange-correlation energy density functionals. To that end we…

Materials Science · Physics 2021-12-30 Per Hyldgaard , Yang Jiao , Vivekanand Shukla

For a system of three identical bosons interacting via short-range forces, when two of the atoms are about to form a two-body s-wave dimer, there exists an infinite number of three-body bound states. This effect is the well-known Efimov…

Atomic Physics · Physics 2015-06-11 Jia Wang , J. P. D'Incao , Yujun Wang , Chris H. Greene