مفاهیم و روش‌ها در شیمی نظری مدرن ۲۰۱۶
Concepts and Methods in Modern Theoretical Chemistry 2016

1. Front Cover

2. Contents

3. Series Preface

4. Foreword

5. Preface

6. Reminiscences

7. Editors

8. Contributors

9. An Interview with B. M. Deb

10. Chapter 1 - Kinetic Energy Functionals of Electron Density and Pair Density

11. Chapter 2 - Quantum Adiabatic Switching and Supersymmetric Approach to Excited States of Nonlinear Oscillators

12. Chapter 3 - Isomorphic Local Hardness and Possible Local Version of Hard–Soft Acids–Bases Principle

13. Chapter 4 - Quantum Chemistry of Highly Symmetrical Molecules and Free-Space Clusters, Plus Almost Spherical Cages of C and B Atoms

14. Chapter 5 - Energy Functionals for Excited States

15. Chapter 6 - Benchmark Studies of Spectroscopic Parameters for Hydrogen Halide Series via Scalar Relativistic State-Specific Multireference Perturbation Theory

16. Chapter 7 - Local Virial Theorem for Ensembles of Excited States

17. Chapter 8 - Information-Theoretic Probes of Chemical Bonds

18. Chapter 9 - Molecular Electrostatic Potentials: Some Observations

19. Chapter 10 - Extending the Domain of Application of Constrained Density Functional Theory to Large Molecular Systems

20. Chapter 11 - Spin and Orbital Physics of Alkali Superoxides: p-Band Orbital Ordering

21. Chapter 12 - Electronic Stress with Spin Vorticity

22. Chapter 13 - Single Determinantal Approximations: Hartree–Fock, Optimized Effective Potential Theory, Density Functional Theory

23. Chapter 14 - Analysis of Generalized Gradient Approximation for Exchange Energy

24. Chapter 15 - Intermolecular Interactions through Energy Decomposition: A Chemists’ Perspective

25. Chapter 16 - Perfectly Periodic Table of Elements in Nonrelativistic Limit of Large Atomic Number

26. Chapter 17 - Quantum Similarity

27. Chapter 18 - Electronic Excitation Energies of Molecular Systems from the Bethe–Salpeter Equation: Example of the H2 Molecule

28. Chapter 19 - Semiquantitative Aspects of Density-Based Descriptors and Molecular Interactions: A More Generalized Local Hard–Soft Acid–Base Principle

29. Chapter 20 - First-Principles Design of Complex Chemical Hydrides as Hydrogen Storage Materials

30. Chapter 21 - The Parameter I – A in Electronic Structure Theory

31. Chapter 22 - Uncertainty and Entropy Properties for Coulomb and Simple Harmonic Potentials Modified by 

32. Back Cover