Calculation of ionization potentials of small molecules: A comparative study of different methods

Journal of Physical Chemistry A

Volumn 109, Issue 37, 2005, Pages 8348-8355

  Lemierre, Virginie ^a   Chrostowska, Anna ^a   Dargelos, Alain ^a   Chermette, Henry ^b  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^b UNIVERSITÉ LYON 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; EIGENVALUES AND EIGENFUNCTIONS; GREEN'S FUNCTION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES;

EXCITATION; HETEROATOMS; IONIZATION POTENTIALS (IP); OUTER VALENCE GREEN'S FUNCTION (OVGF);

IONIZATION;

EID: 25844439372     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050254c     Document Type: Article

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