Is HAM/3 (Hydrogenic Atoms in Molecules, Version 3) a semiempirical version of DFT (Density Functional Theory) for ionization processes?

Journal of the Brazilian Chemical Society

Volumn 15, Issue 2, 2004, Pages 282-291

  Takahata, Yuji ^a   Chong, Delano P ^b   Segala, Maxmiliano ^c  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^c UNIVERSIDADE ESTADUAL DO RIO GRANDE DO SUL   (Brazil)

Author keywords

CEBE; DFT; ESCA; HAM 3; Vertical ionization potential

Indexed keywords

4 NITROANILINE; ANILINE; NITROBENZENE;

AB INITIO CALCULATION; ARTICLE; CORRELATION ANALYSIS; DENSITY; ELECTRON; FLAME PHOTOMETRY; IONIZATION; THEORETICAL STUDY; X RAY ANALYSIS; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 4043167250     PISSN: 01035053     EISSN: None     Source Type: Journal    
DOI: 10.1590/S0103-50532004000200020     Document Type: Article

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