A theoretical analysis of the Hohn-Sham and Hartree-Fock orbitals and their use in the determination of electronic properties

Journal of the Chilean Chemical Society

Volumn 48, Issue 4, 2003, Pages 39-47

  Zevallos, Jenny ^a   Toro Labbé, Alejandro ^a  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

Chemical potencial; Hardness; HOMO; Ionization potentials; LUMO; Orbital energies; Polarizability

Indexed keywords

ANALYTIC METHOD; ARTICLE; CHEMICAL ANALYSIS; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ENERGY; HARDNESS; IONIZATION; MOLECULE; POLARIZATION; RELIABILITY; THEORY;

EID: 1842630310     PISSN: 07179324     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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