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Full Description
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.
Contents
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 Musiał, Anna Motyl, Patrycja Skupin and Stanisław A. Kucharski
9. The Dirac Equation as Guide to Non-Relativistic Hamiltonian Terms
Yngve Öhrn
