A Quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids (Articolo in rivista)

Type
Label
  • A Quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Alternative label
  • Cappelli, C.; Mennucci, B.; Cammi, R.; Rizzo, A. (2005)
    A Quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Cappelli, C.; Mennucci, B.; Cammi, R.; Rizzo, A. (literal)
Pagina inizio
  • 18706 (literal)
Pagina fine
  • 18714 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 109 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • PolyLab-CNR-INFM, c/o Dipartimento di Chimica e Chimica Industriale, UniVersità di Pisa, Via Risorgimento 35, I-56126 Pisa, Italy Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, I-56126 Pisa, Italy Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica e Chimica Fisica, UniVersità di Parma, Parco Area delle Scienze, I-43100 Parma, Italy Istituto per i Processi Chimico-Fisici, del Consiglio Nazionale delle Ricerche (IPCF-CNR), Area della Ricerca, Via G. Moruzzi 1, I-56124 Pisa, Italy (literal)
Titolo
  • A Quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids (literal)
Abstract
  • A quantum mechanical methodology, working within the framework of the polarizable continuum model (PCM), yielding quantities directly comparable with data extracted from Kerr experiments of liquids, is presented. The procedure permits us to obtain the final molar property (specifically, the Kerr constant) in terms of effective molecular dipoles and (hyper)polarizabilities. The latter are obtained through an ab initio description of the molecule of interest when it is mutually interacting with the surrounding medium, which is represented by a continuum dielectric. Effects due to the liquid macroscopic polarization yielded by the output wave are also included. Numerical applications, and comparison with experiments, are presented for a selection of pure liquids. (literal)
Prodotto di
Autore CNR

Incoming links:


Prodotto
Autore CNR di
data.CNR.it