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

Specificaties
Gebonden, blz. | Engels
Elsevier Science | e druk, 2016
ISBN13: 9780128039847
Rubricering
Elsevier Science e druk, 2016 9780128039847
Onderdeel van serie Advances in Quantum Chemistry
€ 219,75
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Samenvatting

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.

Specificaties

ISBN13:9780128039847
Taal:Engels
Bindwijze:Gebonden

Inhoudsopgave

<p>1. Finite Temperature Quantum Effects in Many-body Systems by Classical Methods<br>Jeffrey Wrighton, James Dufty and Sandipan Dutta<br>2. Response of a DNA Hydrogen Bond to a Force in Liquid<br>Predrag Krstic<br>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<br>Ajith Perera and Jorge A. Morales<br>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 <br>Caterine Jaramillo-González, Rodrigo Morales Cueto and William Rodríguez-Córdoba <br>5. Time Propagation of Partial Differential Equations Using the Short Iterative Lanczos Method and Finite-Element Discrete Variable Representation<br>Barry I. Schneider, Xiaoxu Guan and Klaus Bartschat<br>6. Recent Progress in the Variational Orbital Approach to Atomic and Molecular Electronic Structure<br>César X. Almora-Díaz, Herzain I. Rivera-Arrieta and Carlos F. Bunge<br>7. On the Ground State Structures and Energy Properties of ConPdn(n=1-10) Clusters<br>Heriberto Cruz-Martínez, José Manuel Vásquez-Pérez, Omar Solorza Feria and Patrizia Calaminici<br>8. Potential Energy Curves for the Low Lying Electronic States of KLi with Fock Space Coupled Cluster Method<br>Monika Musiał, Anna Motyl, Patrycja Skupin and Stanisław A. Kucharski<br>9. The Dirac Equation as Guide to Non-Relativistic Hamiltonian Terms<br>Yngve Öhrn</p>
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        Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B