Orbital hardness tensors from hydrogen through xenon from kohn-sham perturbed orbitals

International Journal of Quantum Chemistry

Volumn 106, Issue 6, 2006, Pages 1396-1405

  Mineva, Tzonka ^a   Heine, Thomas ^b  

^a INSTITUTE OF CATALYSIS   (Bulgaria)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Atoms; Density functional theory; Orbital hardness tensor; Total hardness

Indexed keywords

ATOMS; COMPUTATION THEORY; HARDNESS; HYDROGEN; PROBABILITY DENSITY FUNCTION; XENON;

ORBITAL HARDNESS TENSOR; TIGHT-BINDING METHODS; TOTAL HARDNESS;

TENSORS;

EID: 33645687090     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20897     Document Type: Conference Paper

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