Interaction-induced electric properties of van der Waals complexes. ([2016])

• Record Type: Book
• Further Information: Note: Victor N. Cherepanov, Yulia N. Kalugina, Mikhail A. Buldakov.
• Authors: Cherepanov, Victor N; Kalugina, Yulia N; Buldakov, Mikhail A
• Contents: Preface; Contents; 1 Introduction; References; 2 Theoretical Backgrounds of Interaction-induced Theory; 2.1 Multipole Electrical Moments; 2.1.1 Coordinate System; 2.1.2 Cartesian Definition; 2.1.3 Irreducible Spherical Tensor Definition; 2.1.4 Dependence on the Origin of the Coordinate System; 2.2 Interaction Hamiltonian; 2.2.1 Large Separations; 2.2.2 Small Separations; 2.3 Interaction Energy; 2.3.1 Long-Range Distances; 2.3.2 Small Distances; 2.4 (Hyper)Polarizabilities; References; 3 Interaction-induced Dipole Moment; 3.1 General Backgrounds; 3.1.1 Computational Features. 3.1.2 Long-Range Analytical Formalism. Induction and Dispersion Contributions3.1.3 Exchange Interaction Contributions; 3.2 Dipole Moment of van der Waals Complexes; 3.2.1 Dipole Moments of Small Complexes; 3.2.2 Dipole Moment Surface of the van der Waals Complex CH4-Ar; 3.2.3 Dipole Moment Surface of the van der Waals Complex CH4-N2; 3.2.4 Dipole Moment Surface of the Ethylene Dimer; References; 4 Interaction-induced Polarizability; 4.1 Interaction-induced Polarizability Theory; 4.1.1 Ab Initio Calculation Features; 4.1.2 Long-Range Approximation; 4.1.3 Exchange Contributions. Analytical Form. 4.2 Polarizabilities of van der Waals Complexes4.2.1 Polarizabilities of Atom-Atomic Complexes; 4.2.2 Polarizabilities of X2-Y Complexes; 4.2.3 Polarizabilities of X2-Y2 Complexes; 4.2.4 Polarizability of CH4-N2 Complex; 4.2.5 Polarizabilities of C2H4-C2H4 Complex; References; 5 Interaction-induced Hyperpolarizability; 5.1 Theoretical Treatment; 5.1.1 Computational Details; 5.1.2 Analytical Representation; 5.2 First Hyperpolarizabilitiy of the CH4-N2 van der Waals Complex; 5.2.1 First Hyperpolarizability Surface; 5.2.2 First Hyperpolarizability of the Most Stable Configuration. 5.2.3 First Hyperpolarizability of Free Oriented Interacting CH4 and N2 Molecules5.3 Multipole Moments and High-Order Polarizabilities of Some Atmospheric and Interstellar Molecules; References; 6 Conclusion; Appendix A: Transformation Rules of the Tensor Components Under Coordinate System Rotation; Appendix B: Nonzero Independent Electric Multipole Moments and (Hyper)polarizabilities for Molecules of Different Symmetry Groupa; Glossary.
• Publisher Details: Cham, Switzerland : Springer
• Publication Date: 2016
• Copyright Date: 2017
• Extent: 1 online resource
• Subjects: 539/.6; 540; Chemistry; Van der Waals forces; Electromagnetic interactions; SCIENCE -- Physics -- Quantum Theory; Electromagnetic interactions; Van der Waals forces; Science -- Molecular Physics; Technology & Engineering -- Material Science; Plasma physics; Electronic devices & materials; Optical materials; Science -- Chemistry -- Physical & Theoretical; Quantum & theoretical chemistry; Electronic books
• Languages: English
• ISBNs: 9783319490328
• Related ISBNs: 331949032X; 9783319490304
• Notes: Note: Includes bibliographical references.; Note: Online resource; title from PDF title page (SpringerLink, viewed December 5, 2016).
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