Propagating Insight
Subtitle: A Tribute to the Works of Yngve Ohrn
Contributors: Sabin, John R.; Lowden, Per-Olov; Ortiz, Vincent; Kurtz, Henry
Series: Advances in quantum chemistry -- v.35; Advances in quantum chemistry
Publisher: Elsevier
Published: 1999
Place of publication: Burlington
Language: eng
Format: [electronic resource] :
Number of pages: 394
ISBN-13: 9780080582603
Subjects: Quantum theory; Quantum chemistry; Molecular dynamics
Description: Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and high-speed computers to solve the wave equations and achieve its results. Advances highlights these important, interdisciplinary developments.
Notes: Description based upon print version of record.
Table of contents: title: Front Cover; Advances in Quantum Chemistry, Volume 35; Copyright Page; Contents; Contributors; Preface; Chapter 1. Yngve Öhrn, Scientist, Leader, and Friend; Chapter 2. Teaching Quantum Mechanics; Chapter 3. Toward an Exact One-Electron Picture of Chemical Bonding; Chapter 4. Spin Density Properties from the Electron Propagator: Hyperfine and Nuclear Spin-Spin Couplings; Chapter 5. The New Challenges of the Theory of Ionization for Polymers and Solids; Chapter 6. Towards the Calculations of Polarizabilities of Stereoregular Polymers; title: Chapter 7. Dispersion Coefficients for Second Hyperpolarizabilities Using Coupled-Cluster Cubic Response TheoryChapter 8. On the Extensivity Problem in Coupled-Cluster Property Evaluation; Chapter 9. The Bethe Sum Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths; Chapter 10. The Molecular Magnetic Shielding Field: Response Graph Illustrations of the Benzene Field; Chapter 11. Time-Dependent Variational Principle in Density Functional Theory; Chapter 12. Quantum Control in Semiconductor Heterostructures; title: Chapter 13. Selective Photodynamic Control of Chemical Reactions : A Rayleigh-Ritz Variational ApproachChapter 14. Semi-Classical Pictures of Non-Adiabatic Induced Electron Ejection in Molecular Anions; Chapter 15. Density Matrix Treatment of Electronic Rearrangement; Chapter 16. Theoretical and Experimental Studies of the Benzene Radical Cation: Effects of Selective Deuteration; Chapter 17. A Theoretical Study of the [Fe2(μ-S2)(P(o-C6H4S)3)2]2- Electronic Spectrum; Index