Atoms, Molecules and Clusters in Electric Fields

Atoms, Molecules and Clusters in Electric Fields

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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. Contents:Atomic Static Dipole Polarizabilities (P Schwerdtfeger)First-Order ZPVA Correction to First Hyperpolarizabilities of Mono-Substituted Benzene Molecules (O Quinet, B Champagne a B Kirtman)Polarizability a Hyperpolarizability in Small Silicon Clusters (C Pouchan, D Y Zhang a D BAcguAc)Theoretical Calculations of the Static Dipole Polarizability of Atoms and Small Atomic Clusters (P Fuentealba)Elongation Method for Polymers and Its Application to Nonlinear Optics (F L Gu, A Imamura a Y Aoki)Responses of Molecular Vibrations to Intermolecular Electrostatic Interactions and Their Effects on Vibrational Spectroscopic Features (H Torii)The (Hyper)Polarizabilities of Liquid Water Modelled Using Coupled Cluster/Molecular Mechanics Response Theory Methods (J Kongsted, A Osted, K V Mikkelsen a O Christiansen)The Discrete Solvent Reaction Field Model: A Quantum Mechanics/Molecular Mechanics Model for Calculating Nonlinear Optical Properties of Molecules in Condensed Phase (L Jensen a P Th van Duijnen)Extraordinary First Hyperpolarizabilities from Loosely Bound Electron in Dipole-Bound Anions: (HF)n- (n = 2, 3, 4) (D Wu , Z R Li, Y Li a C C Sun)Third-Order Nonlinear Optical Properties of Open-Shell and/or Charged Molecular Systems (M Nakano)Sequential Monte Carlo/Quantum Mechanics Study of the Dipole Polarizability of Atomic Liquids. The Argon Case (K Coutinho a S Canuto)High Order Polarizabilities from Optical Interaction-Induced Spectroscopy (T Bancewicz, Y Le Duff a J-L Godet)Polarizability Functions of Diatomic Molecules and Their Dimers (M A Buldakov a V N Cherepanov)Atomic Polarizabilities and Hyperpolarizabilities: A Critical Compilation (A J Thakkar a C Lupinetti)Polarizabilities of Few-Body Atomic and Molecular Systems (Z C Yan, J Y Zhang a Y Li)Nonlinear Optical Properties of Transition-Metal Clusters (K Wu)Interaction (Hyper)Polarizability in N2a€”He, CO2a€”He, H2Oa€”He, (H2O)2a€”He and O3a€”He (G Maroulis a A Haskopoulos)Theoretical Studies on Polarizability of Alkali Metal Clusters (K R S Chandrakumar, Tapan K Ghanty a Swapan K Ghosh)Charge Distribution and Polarizabilities of Water Clusters (P Senet, M Yang a C van Alsenoy) Readership: Academics, researchers, and students in all areas of spectroscopy, materials science, molecular physics, chemical physics, physical chemistry, organic synthesis, polymer science, quantum chemistry and applied mathematics. Keywords:Polarizability;Hyperpolarizability;Electric Moments;NLO;Intermolecular Interactions;Atoms;Molecules;ClustersKey Features:The only book in the field that offers a comprehensive overview of trends in electric polarizability, hyperpolarizability and nonlinear optical properties calculationsProvides a unique introduction and account of recent efforts to determine accurate values for these propertiesCovers basic and applied research for a wide range of activities: from the atomic to the nanoscaleTheoretical Approaches to the Calculation of Electric Polarizability George Maroulis. 25. 26. 27. 28. 29. 30. 31. 32. 33. 34. 35. 36. 37. 38. 39. ... and Molecules, Oxford University Press (1989). ADF Usera#39;s Guide, 2004.01 C.E. Check, T.O. Faustanbsp;...

Title:Atoms, Molecules and Clusters in Electric Fields
Author: George Maroulis
Publisher:World Scientific - 2006-07-31

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