Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B: Volume 72

ISBN-13: 9780128039847 / Angielski / Twarda / 2016 / 248 str.

Sabin, John R.

Opis

Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B, presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology.

• Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology
• Features detailed reviews written by leading international researchers

Spis treści

1. Finite Temperature Quantum Effects in Many-body Systems by Classical Methods Jeffrey Wrighton, James Dufty and Sandipan Dutta 2. Response of a DNA Hydrogen Bond to a Force in Liquid Predrag Krstic 3. Implementation of a Parallel Linear-Response Coupled-Cluster-Theory Module in ACES III: First Application to the Static Polarizabilities of the C20 Isomers and of the Biphospholylidene Dioxide and Disulfide Oligomers Ajith Perera and Jorge A. Morales 4. Absorption and Emission Spectra of Anthracene-9-Carboxylic Acid in Solution Within the Polarizable Continuum Model: A Long-Range Corrected Time Dependent Density Functional Study Caterine Jaramillo-González, Rodrigo Morales Cueto and William Rodríguez-Córdoba 5. Time Propagation of Partial Differential Equations Using the Short Iterative Lanczos Method and Finite-Element Discrete Variable Representation Barry I. Schneider, Xiaoxu Guan and Klaus Bartschat 6. Recent Progress in the Variational Orbital Approach to Atomic and Molecular Electronic Structure César X. Almora-Díaz, Herzain I. Rivera-Arrieta and Carlos F. Bunge 7. On the Ground State Structures and Energy Properties of ConPdn(n=1-10) Clusters Heriberto Cruz-Martínez, José Manuel Vásquez-Pérez, Omar Solorza Feria and Patrizia Calaminici 8. Potential Energy Curves for the Low Lying Electronic States of KLi with Fock Space Coupled Cluster Method Monika Musial, Anna Motyl, Patrycja Skupin and Stanislaw A. Kucharski 9. The Dirac Equation as Guide to Non-Relativistic Hamiltonian Terms Yngve Öhrn

O autorze

John R. Sabin is Professor of Physics and Chemistry Emeritus at the University of Florida, and Adjungeret Professor at the University of Southern Denmark. He received the AB degree from Williams College in 1962 and the PhD from the University of New Hampshire in 1966. Thereafter he was a postdoctoral student at Uppsala University and at Northwestern University. He was Assistant Professor at the University of Missouri for three years (1968-1971) and then came to the University of Florida where he has been since.

Sabin's research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile's mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target's mean excitation energy. He has written some 250 articles in this and related fields.

Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.