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

This comprehensive series of articles presents the most timely and detailed information available on the latest developments in quantum chemistry

John R. Sabin (Series edited by), Remigio Cabrera-Trujillo (Series edited by)

9780128039847

Hardback, published 18 January 2016

248 pages
22.9 x 15.1 x 2.1 cm, 0.59 kg

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.

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

Subject Areas: Quantum & theoretical chemistry [PNRP], Physical chemistry [PNR], Mathematical physics [PHU]