Empirically adjusted and consistent set of EHT valence orbital parameters for all elements of the periodic table

Modelling and Simulation in Materials Science and Engineering

Volumn 12, Issue 1, 2004, Pages 21-32

  Herman, Aleksander ^a  

^a GDANSK UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; DISCRETE FOURIER TRANSFORMS; HAMILTONIANS; IONIZATION; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS;

ATOMIC ORBITALS; IONIZATION ENERGY; ORBITAL ENERGY; VALENCE STATE IONIZATION POTENTIAL (VSIP);

MATERIALS SCIENCE;

EID: 0942267810     PISSN: 09650393     EISSN: None     Source Type: Journal    
DOI: 10.1088/0965-0393/12/1/003     Document Type: Article

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