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We study the mutual interactions of simple, parallel polymers and nanotubes, and develop a scheme to include the van der Waals interactions in the framework of density functional theory (DFT) for these molecules at intermediate to…

软凝聚态物质 · 物理学 2007-05-23 Jesper Kleis , Per Hyldgaard , Elsebeth Schroder

Van der Waals heterostructures (VdWHs) composed of 2D materials have attracted significant attention in recent years due to their intriguing optical properties, such as strong light-matter interactions and large intrinsic anisotropy. In…

Path-integral molecular dynamics simulations based on density functional theory employing exchange-correlation density functionals capable of treating nonlocal van der Waals (vdW) interactions self-consistently provide a remarkably accurate…

化学物理 · 物理学 2014-02-13 Jeffrey M. McMahon , Miguel A. Morales , Brian Kolb , Timo Thonhauser

Van der Waals (vdW) materials offer new ways to assemble artificial electronic media with properties controlled at the design stage, by combining atomically defined layers into interfaces and heterostructures. Their potential for…

We study the Rydberg blockade in a system of three atoms arranged in different 2D geometries (linear and triangular configurations). In the strong blockade regime, we observe high-contrast, coherent collective oscillations of the single…

Van der Waals-Casimir dispersion interactions between two apposed graphene layers, a graphene layer and a substrate, and in a multilamellar graphene system are analyzed within the framework of the Lifshitz theory. This formulation hinges on…

介观与纳米尺度物理 · 物理学 2015-05-28 Jalal Sarabadani , Ali Naji , Reza Asgari , Rudolf Podgornik

The long-range interaction between two atoms and the long-range interaction between an ion and an electron are compared at small and large intersystem separations. The vacuum dressed atom formalism is applied and found to provide a…

原子物理 · 物理学 2010-09-17 James F. Babb

In a recent work [Phys. Rev. Lett. 98, 023004 (2007)] we have investigated the influence of attractive van der Waals interaction on the pair distribution and Penning ionization dynamics of ultracold Rydberg gases. Here we extend this…

原子物理 · 物理学 2009-11-13 Thomas Amthor , Markus Reetz-Lamour , Christian Giese , Matthias Weidemüller

We present a new scheme to include the van der Waals (vdW) interactions in approximated Density Functional Theory (DFT) by combining the Quantum Harmonic Oscillator model with the Maximally Localized Wannier Function technique. With respect…

材料科学 · 物理学 2015-06-16 Pier Luigi Silvestrelli

Various strong coupling theories of the one-component plasma have successfully predicted the thermodynamic and structural properties by separating the Coulomb potential into short- and long-ranged parts in {\itshape ad hoc} ways. Moreover,…

统计力学 · 物理学 2018-11-07 Hiroshi Frusawa

Proper inclusion of van der Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many…

材料科学 · 物理学 2023-07-19 Jinwoo Park , Byung Deok Yu , Suklyun Hong

We study the van der Waals-London force, which is typically associated with fluctuating dipoles in atoms, in a mesoscopic circuit consisting of two inductively coupled superconducting loops. We investigate the ``inductive" van der…

介观与纳米尺度物理 · 物理学 2025-12-16 Kicheon Kang

The static and dynamic properties of the alkaline-earth atoms in their metastable state are computed in a configuration interaction approach with a semi-empirical model potential for the core. Among the properties determined are the scalar…

原子物理 · 物理学 2007-05-23 J. Mitroy , M. W. J. Bromley

By explicitly including fractionally ionic contributions to the polarizability of a many-component system we are able to significantly improve on previous atom-wise many-body van der Waals approaches with essentially no extra numerical…

化学物理 · 物理学 2017-03-28 Tim Gould , Sébastien Lebègue , János G. Ángyán , Tomáš Bučko

Rydberg atoms are used in a wide range of applications due to their peculiar properties like strong dipolar and van der Waals interactions. The choice of Rydberg state has a huge impact on the strength and angular dependence of the…

原子物理 · 物理学 2025-11-04 Karen Wadenpfuhl , C. Stuart Adams

Nanostructures can be bound together at equilibrium by the van der Waals (vdW) effect, a small but ubiquitous many-body attraction that presents challenges to density functional theory. How does the binding energy depend upon the size or…

化学物理 · 物理学 2018-03-14 Jianmin Tao , John P. Perdew , Hong Tang , Chandra Shahi

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…

软凝聚态物质 · 物理学 2013-04-09 Elisa Londero , Per Hyldgaard , Elsebeth Schroder

In principle, density functional theory yields the correct ground-state densities and energies of electronic systems under the action of a static external potential. However, traditional approximations fail to include Van der Waals energies…

凝聚态物理 · 物理学 2016-08-31 Walter Kohn , Yigal Meir , Dmitrii E. Makarov

We study the interaction between two neutral plane-parallel dielectric bodies in the presence of a highly asymmetric ionic fluid, containing multivalent as well as monovalent (salt) ions. Image charge interactions, due to dielectric…

软凝聚态物质 · 物理学 2015-06-11 Matej Kanduc , Ali Naji , Jan Forsman , Rudolf Podgornik

We evaluate the van der Waals (vdW) interaction energy at zero temperature between two undoped strained graphene layers separated by a finite distance. We consider the following three models for the anisotropic case: (a) where one of the…

材料科学 · 物理学 2014-06-25 Anand Sharma , Peter Harnish , Alexander Sylvester , Valeri N. Kotov , A. H. Castro Neto