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Atoms, molecules, and clusters in electric fields : theoretical approaches to the calculation of electric polarizability / editor, George Maroulis.

Contributor(s): Maroulis, GeorgeMaterial type: TextTextSeries: Series in computational, numerical, and mathematical methods in sciences and engineering ; v. 1.Copyright date: ©2006Description: 1 online resource (xii, 679 pages) : illustrationsContent type: text Media type: computer Carrier type: online resourceISBN: 9781860948862; 1860948863; 1281867381; 9781281867384Subject(s): Polarizability (Electricity) | Atoms | Molecules | Atomic spectroscopy | Cluster theory (Nuclear physics) | Collision spectroscopy | SCIENCE -- Physics -- Condensed Matter | Atomic spectroscopy | Atoms | Cluster theory (Nuclear physics) | Collision spectroscopy | Molecules | Polarizability (Electricity)Genre/Form: Electronic books. | Electronic books. Additional physical formats: Print version:: Atoms, molecules, and clusters in electric fields.DDC classification: 530.416 LOC classification: QC173.4.P64 | A76 2006ebOnline resources: Click here to access online
Contents:
Preface -- Atomic static dipole polarizabilites / P. Schwerdtfeger -- First-order ZPVA correction to first hyperpolarizabilities of mono-substituted benzene molecules / O. Quinet, B. Champagne and B. Kirtman -- Polarizability and hyperpolarizability in small silicon clusters / C. Pouchan, D.Y. Zhang and D. Bégué -- 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 and 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 [and others] -- The discrete solvent reaction field model: a quantum mechanics/molecular mechanics model for calculating nonlinear optical properties of molecules in condensed phase / L. Jensen and P. Th. van Duijnen -- Extraordinary first hyperpolarizabilities from loosely bound electron in dipole-bound anions: (HF)[symbol] (n = 2, 3, 4) / D. Wu [and others] -- 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 and S. Canuto -- High order polarizabilities from optical interaction-induced spectroscopy / T. Bancewicz, Y. Le Duff and J.-L. Godet -- Polarizability functions of diatomic molecules and their dimers / M.A. Buldakov and V.N. Cherepanov -- Atomic polarizabilities and hyperpolarizabilities: a critical compilation / A.J. Thakkar and C. Lupinetti -- Polarizabilities of few-body atomic and molecular systems / Z.C. Yan, J.Y. Zhang and Y. Li -- Nonlinear optical properties of transition-metal clusters / K. Wu -- Interaction (hyper)polarizability in N2-He, CO2-He, H2O-He, (H2O)2-He and O3-He / G. Maroulis and A. Haskopoulos -- Theoretical studies on polarizability of alkali metal clusters / K.R.S. Chandrakumar, Tapan K. Ghanty and Swapan K. Ghosh -- Charge distribution and polarizabilities of water clusters / P. Senet, M. Yang and C. Van Alsenoy.
Summary: 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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Includes bibliographical references.

Preface -- Atomic static dipole polarizabilites / P. Schwerdtfeger -- First-order ZPVA correction to first hyperpolarizabilities of mono-substituted benzene molecules / O. Quinet, B. Champagne and B. Kirtman -- Polarizability and hyperpolarizability in small silicon clusters / C. Pouchan, D.Y. Zhang and D. Bégué -- 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 and 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 [and others] -- The discrete solvent reaction field model: a quantum mechanics/molecular mechanics model for calculating nonlinear optical properties of molecules in condensed phase / L. Jensen and P. Th. van Duijnen -- Extraordinary first hyperpolarizabilities from loosely bound electron in dipole-bound anions: (HF)[symbol] (n = 2, 3, 4) / D. Wu [and others] -- 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 and S. Canuto -- High order polarizabilities from optical interaction-induced spectroscopy / T. Bancewicz, Y. Le Duff and J.-L. Godet -- Polarizability functions of diatomic molecules and their dimers / M.A. Buldakov and V.N. Cherepanov -- Atomic polarizabilities and hyperpolarizabilities: a critical compilation / A.J. Thakkar and C. Lupinetti -- Polarizabilities of few-body atomic and molecular systems / Z.C. Yan, J.Y. Zhang and Y. Li -- Nonlinear optical properties of transition-metal clusters / K. Wu -- Interaction (hyper)polarizability in N2-He, CO2-He, H2O-He, (H2O)2-He and O3-He / G. Maroulis and A. Haskopoulos -- Theoretical studies on polarizability of alkali metal clusters / K.R.S. Chandrakumar, Tapan K. Ghanty and Swapan K. Ghosh -- Charge distribution and polarizabilities of water clusters / P. Senet, M. Yang and C. Van Alsenoy.

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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