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

Publication Data

• Title Concepts of mathematical physics in chemistry : a tribute to Frank E. Harris
• Contributors John R. Sabin, Remigio Cabrera-Trujillo, Frank E. Harris
• Publisher Academic Press
• Publication date 2015
• Publication location Amsterdam
• Language English

Contents

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.

Topics

• Quantum chemistry