Concepts of mathematical physics in chemistry : a tribute to Frank E. Harris. Part B

Publication Data

• Title Concepts of mathematical physics in chemistry : a tribute to Frank E. Harris. Part B
• Contributors John R. Sabin, Remigio Cabrera-Trujillo, Frank E. Harris
• Publisher Academic Press
• Publication date 2016
• Publication location Amsterdam
• Language English

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

Topics

• Quantum chemistry

Concepts of mathematical physics in chemistry : a tribute to Frank E. Harris. Part B. ISBN 9780128039854. Published by Academic Press in 2016. Publication and catalogue information, links to buy online and reader comments.