articleNature ChemistryJun 13, 2016Closed access

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

JSJianwei SunRCRichard C. RemsingYZYubo ZhangZSZhaoru SunARAdrienn Ruzsinszky

Temple University · Jawaharlal Nehru Centre for Advanced Scientific Research

PubMed
Indexed incrossrefpubmed

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Topics & keywords

Topics
Keywords
  • Density functional theory
  • Chemistry
  • van der Waals force
  • Computation
  • Range (aeronautics)
  • Ionic bonding
  • Molecule
  • Computational chemistry
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