LEADER 02566oam 2200469 450 001 9910741151403321 005 20190911112725.0 010 $a3-319-00987-7 024 7 $a10.1007/978-3-319-00987-2 035 $a(OCoLC)862155902 035 $a(MiFhGG)GVRL6YEJ 035 $a(EXLCZ)993710000000024330 100 $a20130612d2013 uy 0 101 0 $aeng 135 $aurun|---uuuua 181 $ctxt 182 $cc 183 $acr 200 10$aMolecular response functions for the polarizable continuum model $ephysical basis and quantum mechanical formalism /$fRoberto Cammi 205 $a1st ed. 2013. 210 1$aCham [Switzerland] :$cSpringer,$d2013. 215 $a1 online resource (xvi, 58 pages) 225 1 $aSpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,$x2730-7751 300 $a"ISSN: 2191-5407." 311 $a3-319-00986-9 320 $aIncludes bibliographical references and index. 327 $aIntroduction -- The PCM model for solvated molecules -- The definition of the basic model -- The basic energy functional -- The Quantum Mechanical problem -- The Coupled-cluster equations -- Analytical derivatives theory for molecular solute -- Solute molecular properties -- The coupled-cluster analytical derivatives -- Response theory for molecules in solution -- General response theory for the Polarizable Contiuum Model -- The coupled-cluster response theory. 330 $aThis brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted (i) to the description of the basic features of the PCM model, and (ii) to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules. 410 0$aSpringerBriefs in molecular science. 606 $aQuantum chemistry 606 $aMolecular biology 615 0$aQuantum chemistry. 615 0$aMolecular biology. 676 $a530.41 676 $a541.3482011 700 $aCammi$b Roberto$4aut$4http://id.loc.gov/vocabulary/relators/aut$0985016 801 0$bMiFhGG 801 1$bMiFhGG 906 $aBOOK 912 $a9910741151403321 996 $aMolecular Response Functions for the Polarizable Continuum Model$92541940 997 $aUNINA