Atoms, Molecules and Clusters in Electric Fields: Theoretical Approaches to the Calculation of Electric Polarizability

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Imperial College Press, 2006 - Technology & Engineering - 679 pages
With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties.
 

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Contents

1 Atomic Static Dipole Polarizabilites
1
2 FirstOrder ZPVA Correction to First Hyperpolarizabilities of MonoSubstituted Benzene Molecules ...
33
3 Polarizability and Hyperpolarizability in Small Silicon Clusters
55
4 Theoretical Calculations of the Static Dipole Polarizability of Atoms and Small Atomic Clusters ...
75
5 Elongation Method for Polymers and Its Application to Nonlinear Optics
97
6 Responses of Molecular Vibrations to Intermolecular Electrostatic Interactions and their Effects on Vibrational Spectroscopic Features ...
179
7 The Hyperpolarizabilities of Liquid Water Modelled Using Coupled ClusterMolecular Mechanics Response Theory Methods ...
215
A Quantum MechanicsMolecular Mechanics Model for Calculating Nonlinear Optical Properties of Molecules in Condensed Phase ...
283
11 Sequential Monte CarloQuantum Mechanics Study of the Dipole Polarizability of Atomic Liquids The Argon Case ...
405
12 High Order Polarizabilities from Optical InteractionInduced Spectroscopy
421
13 Polarizability Functions of Diatomic Molecules and their Dimers
455
A Critical Compilation
505
15 Polarizabilities of FewBody Atomic and Molecular Systems
531
16 Nonlinear Optical Properties of TransitionMetal Clusters
565
17 Interaction Hyperpolarizability in N2He CO2He H20He H202He and 03He
605
18 Theoretical Studies on Polarizability of Alkali Metal Clusters
625

HFN N 2 3 4
327
10 ThirdOrder Nonlinear Optical Properties of OpenShell andor Charged Molecular Systems ...
337
19 Charge Distribution and Polarisabilities of Water Clusters
657
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