Advances in Quantum Chemistry: Ratner Volume

✍ Scribed by John R. Sabin and Erkki J. Brändas (Eds.)

• Publisher: Academic Press
• Year: 2017
• Leaves: 275
• Series: Advances in Quantum Chemistry Volume 75
• Edition: 1st Edition
• Category: Library

✦ Synopsis

Advances in Quantum Chemistry, Volume 75 presents work and reviews of current progress in computational quantum mechanics as presented by some of the world’s leading experts. This latest release includes chapters on Mean-Field Methods for Time-Dependent Quantum Dynamics of Many-Atom Systems, Electron–Ion Impact Energy Transfer in Nanoplasmas of Coulomb Exploding Clusters, Molecular Properties of Sandwiched Molecules Between Electrodes and Nanoparticles, Criterion for the Validity of D'Alembert's Equations of Motion, and A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters.

✦ Table of Contents

Content:
Series PagePage ii
CopyrightPage iv
ContributorsPages ix-x
PrefacePages xi-xiiJohn R. Sabin, Erkki J. Brändas
Chapter One - Mean-Field Methods for Time-Dependent Quantum Dynamics of Many-Atom SystemsPages 1-26Barak Hirshberg, R. Benny Gerber
Chapter Two - Electron–Ion Impact Energy Transfer in Nanoplasmas of Coulomb Exploding ClustersPages 27-52Isidore Last, Joshua Jortner
Chapter Three - Molecular Properties of Sandwiched Molecules Between Electrodes and NanoparticlesPages 53-102Stine T. Olsen, Asbjørn Bols, Thorsten Hansen, Kurt V. Mikkelsen
Chapter Four - Criterion for the Validity of D'Alembert's Equations of MotionPages 103-116John W. Perram
Chapter Five - A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag NanoclustersPages 117-145Adam P. Ashwell, Mark A. Ratner, George C. Schatz
Chapter Six - Switching Activity of Allosteric Modulators Controlled by a Cluster of Residues Forming a Pressure Point in the mGluR5 GPCR: A Computational InvestigationPages 147-174Michael Sabio, Sid Topiol
Chapter Seven - Singlet Fission: Optimization of Chromophore Dimer GeometryPages 175-227Eric A. Buchanan, Zdeněk Havlas, Josef Michl
Chapter Eight - Continuum Contributions to Dipole Oscillator-Strength Sum Rules for Hydrogen in Finite Basis SetsPages 229-241Jens Oddershede, John F. Ogilvie, Stephan P.A. Sauer, John R. Sabin
Chapter Nine - Features of Nearly Spherical Electronic SystemsPages 243-266Jan Linderberg
IndexPages 267-272

✦ Subjects

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