Atomic C 6 dispersion coefficients: A four-component relativistic Kohn-Sham study

Molecular Physics

Volumn 110, Issue 19-20, 2012, Pages 2535-2541

  Sulzer, David ^a   Norman, Patrick ^b   Saue, Trond ^c  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b LINKÖPING UNIVERSITY   (Sweden)

^c CNRS   (France)

Author keywords

C6 dispersion coefficient; density functional theory; relativistic effects; van der Waals interaction

Indexed keywords

CLOSED SHELL ATOMS; COMPLEX POLARIZATION PROPAGATOR; DENSITY FUNCTIONALS; DIPOLE-DIPOLE; DISPERSION COEFFICIENT; HEAVY ELEMENTS; IMAGINARY FREQUENCY; PERIODIC TABLE; POLARIZABILITIES; REFERENCE DATA; RELATIVISTIC EFFECTS; SCALAR-RELATIVISTIC EFFECTS; SPIN-ORBIT EFFECTS; VAN DER WAALS INTERACTIONS;

BOLTZMANN EQUATION; CHEMICAL ELEMENTS; DENSITY FUNCTIONAL THEORY; RELATIVITY; VAN DER WAALS FORCES;

ATOMS;

EID: 84868352812     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2012.709283     Document Type: Article

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