Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part A (eBook, ePUB)

• Format: ePub

Produktbeschreibung

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

• Presents 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
• Features detailed reviews written by leading international researchers

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Produktdetails

• Verlag: Elsevier Science & Techn.
• Seitenzahl: 398
• Erscheinungstermin: 6. August 2015
• Englisch
• ISBN-13: 9780128028681
• Artikelnr.: 43810449

Inhaltsangabe

1. Frank Harris, a Master of Mountains


Per Kaijser




2. System-Size Dependence in Grand Canonical and Canonical Ensembles


Debajit Chakraborty, James Dufty and Valentin V. Karasiev




3. The Mean Excitation Energy of Atomic Ions


Stephan P.A. Sauer, Jens Oddershede, and John R. Sabin




4. Hybrid Functionals with Variationally Fitted Exact Exchange


Daniel Mejía-Rodríguez, Xiaomin Huang, Jorge M. del Campo and Andreas M. Köster




5. The Hydrogen H₂⁺ and HeH⁺⁺Molecular Ions Confined in Dihedral Angles


Salvador A. Cruz and Eugenio Ley-Koo




6. Angular Momentum Theory in Bases of Lamé Spheroconal Harmonics


Ricardo Méndez-Fragoso and Eugenio Ley-Koo




7. The Fourier Space Restricted Hartree-Fock Method for the Electronic Structure Calculation of One-Dimensionally Periodic Systems


Joseph G. Fripiat, Benoît Champagne and Frank E. Harris




8. Generalized Response Theory for a Photoexcited Many-Atom System


David A. Micha




9. Frank Discussion of the Status of Ground-state Orbital-free DFT


Valentin V. Karasiev and Samuel B. Trickey




10. Statistical Inference with Minimum Relative Entropy: A Robust Numerical Algorithm Employing Sinc Quadrature


Vasilios G. Koures




11. Computational Methods for Chemistry and Physics, and Schrödinger in 3 + 1


Frank Stenger, Gerd Bauman and Vasilios G. Koures




12. Approximate Coherent States for Nonlinear Systems


Ricardo Román-Ancheyta and José Récamier




13. 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




14. On a Hyperbolic Solution to the Non-Linear Schrödinger Equation for a Square well Potential Coupled to a Contact Impurity at the De-Localization Threshold


Ricardo Méndez-Fragoso and Remigio Cabrera-Trujillo




15. Multi-Resolution Approach for Laser Modified Collisions of Atoms and Ions
    Fco. Javier Domínguez-Gutiérrez, Predrag S. Krstic and Remigio Cabrera- Trujillo