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Full Description
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.
Contents
1. Mean-Field Methods for Time-Dependent Quantum Dynamics of Many-Atom Systems
Barak Hirshberg and R. Benny Gerber
2. Electron-Ion Impact Energy Transfer in Nanoplasmas of Coulomb Exploding Clusters
Isidore Last and Joshua Jortner
3. Molecular Properties of Sandwiched Molecules Between Electrodes and Nanoparticles
Stine T. Olsen, Asbjørn Bols, Thorsten Hansen and Kurt V. Mikkelsen
4. Criterion for the Validity of D'Alembert's Equations of Motion
John W. Perram
5. A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters
Adam P. Ashwell, Mark A. Ratner and George C. Schatz
6. Switching Activity of Allosteric Modulators Controlled by a Cluster of Residues Forming a Pressure Point in the mGluR5 GPCR: A Computational Investigation
Michael Sabio and Sid Topiol
7. Singlet Fission: Optimization of Chromophore Dimer Geometry
Eric A. Buchanan, Zdeněk Havlas and Josef Michl
8. Continuum Contributions to Dipole Oscillator-Strength Sum Rules for Hydrogen in Finite Basis Sets
Jens Oddershede, John F. Ogilvie, Stephan P.A. Sauer and John R. Sabin
9. Features of Nearly Spherical Electronic Systems
Jan Linderberg
