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

著者

• Sabin, John R.
• Cabrera-Trujillo, Remigio
• Harris, Frank E.

書誌事項

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

volume editors, John R. Sabin, Remigio Cabrera-Trujillo

（Advances in quantum chemistry / edited by Per-Olov Löwdin, v. 71-72）

Elsevier, Academic Press, 2015-2016

• pt. A
• pt. B

注記

Academic Press is an imprint of Elsevier

内容説明・目次

巻冊次

pt. A ISBN 9780128028247

内容説明

This volume presents a series of articles concerning current important topics in quantum chemistry.

目次

Frank Harris, a Master of Mountains Per Kaijser System-Size Dependence in Grand Canonical and Canonical Ensembles Debajit Chakraborty, James Dufty and Valentin V. Karasiev The Mean Excitation Energy of Atomic Ions Stephan P.A. Sauer, Jens Oddershede, and John R. Sabin Hybrid Functionals with Variationally Fitted Exact Exchange Daniel Mejia-Rodriguez, Xiaomin Huang, Jorge M. del Campo and Andreas M. Koester The Hydrogen H2+ and HeH++Molecular Ions Confined in Dihedral Angles Salvador A. Cruz and Eugenio Ley-Koo Angular Momentum Theory in Bases of Lame Spheroconal Harmonics Ricardo Mendez-Fragoso and Eugenio Ley-Koo The Fourier Space Restricted Hartree-Fock Method for the Electronic Structure Calculation of One-Dimensionally Periodic Systems Joseph G. Fripiat, Benoit Champagne and Frank E. Harris Generalized Response Theory for a Photoexcited Many-Atom System David A. Micha Frank Discussion of the Status of Ground-state Orbital-free DFT Valentin V. Karasiev and Samuel B. Trickey Statistical Inference with Minimum Relative Entropy: A Robust Numerical Algorithm Employing Sinc Quadrature Vasilios G. Koures Computational Methods for Chemistry and Physics, and Schroedinger in 3 + 1 Frank Stenger, Gerd Bauman and Vasilios G. Koures Approximate Coherent States for Nonlinear Systems Ricardo Roman-Ancheyta and Jose Recamier Electronic Properties in Supercritical Fluids: The Absorption Spectrum of P-Nitroaniline in Supercritical Water Marcelo Hidalgo Cardenuto, Kaline Coutinho, Benedito J. C. Cabral and Sylvio Canuto On a Hyperbolic Solution to the Non-Linear Schroedinger Equation for a Square well Potential Coupled to a Contact Impurity at the De-Localization Threshold Ricardo Mendez-Fragoso and Remigio Cabrera-Trujillo Multi-Resolution Approach for Laser Modified Collisions of Atoms and Ions Fco. Javier Dominguez-Gutierrez, Predrag S. Krstic and Remigio Cabrera- Trujillo

巻冊次

pt. B ISBN 9780128039847

内容説明

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.

目次

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-Gonzalez, Rodrigo Morales Cueto and William Rodriguez-Cordoba 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 Cesar X. Almora-Diaz, 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-Martinez, Jose Manuel Vasquez-Perez, 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 OEhrn

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詳細情報

• NII書誌ID(NCID): BB20784243
• ISBN:
  • 9780128028247
  • 9780128039847
• 出版国コード: ne
• タイトル言語コード: eng
• 本文言語コード: eng
• 出版地: Amsterdam
• ページ数/冊数: v.
• 大きさ: 24 cm
• 分類:
  • DC23 : 541.28
• 件名:
  • LCSH : Quantum chemistry
• 親書誌ID:
  • BA00658464