Literature DB >> 19334833

Multipole polarizabilities and long-range interactions of the fluorine atom.

O Zatsarinny1, K Bartschat, J Mitroy, J-Y Zhang.   

Abstract

The polarizabilities of the ground state of fluorine are determined by the box-based B-spline configuration-interaction method. The ground-state static and tensor polarizabilities are calculated as alpha(d) = 3.49a(0)(3) and alpha(2) = 0.303a(0)(3), respectively. The resulting excitation matrix elements are employed to compute the interatomic dispersion interactions for the HF and F(2) molecules.

Entities:  

Year:  2009        PMID: 19334833     DOI: 10.1063/1.3098320

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Accurate van der Waals coefficients from density functional theory.

Authors:  Jianmin Tao; John P Perdew; Adrienn Ruzsinszky
Journal:  Proc Natl Acad Sci U S A       Date:  2011-12-28       Impact factor: 11.205

  1 in total

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