New Developments in the Symmetry-Adapted Algorithm of the Polarizable Continuum Model

Journal of Computational Chemistry

Volumn 25, Issue 3, 2004, Pages 375-385

  Frediani, Luca ^a   Cammi, Roberto ^a   Pomelli, Christian S ^b   Tomasi, Jacopo ^b   Ruud, Kenneth ^c  

^a UNIVERSITY OF PARMA   (Italy)

^b UNIVERSITY OF PISA   (Italy)

^c UNIVERSITY OF TROMSØ   (Norway)

Author keywords

Ab initio; Diazine; Excited state; Solvent; Symmetry

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; DISCRETE FOURIER TRANSFORMS; HAMILTONIANS; MATRIX ALGEBRA; OPTIMIZATION; PERMITTIVITY; PERTURBATION TECHNIQUES; POLARIZATION; SET THEORY; SOLVENTS;

AB INITIO; EXCITED STATES; SYMMETRY;

NITROGEN COMPOUNDS;

EID: 84962383275     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10381     Document Type: Article

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