Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory

Journal of Chemical Physics

Volumn 139, Issue 16, 2013, Pages

  Maschio, Lorenzo ^a   Kirtman, Bernard ^b   Rérat, Michel ^c   Orlando, Roberto ^a   Dovesi, Roberto ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITY OF CALIFORNIA   (United States)

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

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL FORMULATION; ATOMIC COORDINATE; ATOMIC-ORBITAL BASIS; ENERGY-WEIGHTED DENSITY MATRICES; EQUILIBRIUM GEOMETRIES; EXTERNAL ELECTRIC FIELD; NUMERICAL DIFFERENTIATION; SELF-CONSISTENT SOLUTION;

DIFFERENTIATION (CALCULUS); ELECTRIC FIELDS;

QUANTUM CHEMISTRY;

EID: 84903362578     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4824442     Document Type: Article

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