Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part a: Volume 71

ISBN-13: 9780128028247 / Angielski / Twarda / 2015 / 398 str.

Sabin, John R.

Opis

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

Spis treści

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

O autorze

John R. Sabin is Professor of Physics and Chemistry Emeritus at the University of Florida, and Adjungeret Professor at the University of Southern Denmark. He received the AB degree from Williams College in 1962 and the PhD from the University of New Hampshire in 1966. Thereafter he was a postdoctoral student at Uppsala University and at Northwestern University. He was Assistant Professor at the University of Missouri for three years (1968-1971) and then came to the University of Florida where he has been since.

Sabin's research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile's mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target's mean excitation energy. He has written some 250 articles in this and related fields.

Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.