Quantum chemistry with the Douglas-Kroll-Hess approach to relativistic density functional theory: Efficient methods for molecules and materials

Theoretical and Computational Chemistry

Volumn 14, Issue , 2004, Pages 656-722

  Rösch, Notker ^a   Matveev, Alexei ^a   Nasluzov, Vladimir A ^b   Neyman, Konstantin M ^a   Moskaleva, Lyudmila ^a   Krüger, Sven ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

TRANSITION ELEMENT;

ACCURACY; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRON; MATERIAL STATE; MATHEMATICAL ANALYSIS; MATHEMATICAL PARAMETERS; METHODOLOGY; MOLECULAR DYNAMICS; MOLECULE; QUANTUM THEORY; REVIEW;

EID: 1542410198     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/s1380-7323(04)80038-4     Document Type: Review

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