articlePhysical Review XOct 12, 2016GOLD OA

Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

HPHaowei PengZYZeng-hui YangJPJohn P. PerdewJSJianwei Sun

Temple University

Indexed incrossrefdoaj

Abstract

Van der Waals interactions are ubiquitous in different materials yet not always described properly by current theories. Now, researchers have determined how to accurately and efficiently treat long-range Van der Waals interactions together with other chemical bonds, new findings that are important for studies of layered materials.

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Topics & keywords

Topics
Keywords
  • van der Waals force
  • Van der Waals surface
  • Van der Waals strain
  • Density functional theory
  • Van der Waals radius
  • Hamaker constant
  • Statistical physics
  • Range (aeronautics)
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