Piecuch, Piotr
Advances in the Theory of Atomic and Molecular Systems
Part I. Historical Overviews
1. An Illustrated Overview of the Origins and Development of the
Jean Maruani
2. Methylene: A Personal Perspective
James F. Harrison
Part II. High-Precision Quantum Chemistry
3. Free Complement Method for Solving the Schrödinger Equation: How Accurately Can We Solve the Schrödinger Equation
H. Nakatsuji, H. Nakashima
4. Energy Computation for Exponentially Correlated Four-Body Wavefunctions
Frank E. Harris
Part III. Beyond Nonrelativistic Theory: Relativity and QED
5. The Equivalence Principle from a Quantum Mechanical Perspective
E.J. Brändas
6. Relativistically Covariant Many-Body Perturbation Procedure
Ingvar Lindgren, Sten Salomonson, Daniel Hedendahl
7. Relativistic Variational Calculations for Complex Atoms
Charlotte Froese Fischer
Part IV. Advances in Wave Function Methods
8. Linear Scaling Local Correlation Extensions of the Standard and Renormalized Coupled-Cluster Methods
Wei Li, Piotr Piecuch, Jeffrey R. Gour
9. The Correlation Consistent Composite Approach (ccCA): Efficient and Pan-Periodic Kinetics and Thermodynamics
Angela K. Wilson, Nathan J. DeYonker, Thomas R. Kundari
10. On the Performance of a Size-Extensive Variant of Equation-of-Motion Coupled Cluster Theory for Optical Rotation in Chiral Molecules
T. Daniel Crawford, Hideo Sekino
11. Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for Carbon–Carbon Bond Breaking in Hydrocarbons
Jun Shen, Tao Fang, Shuhua Li
12. Fermi-Vacuum Invariance in Multiconfiguration Perturbation Theory
Ágnes Szabados, Péter R. Surján
13. On the Wave Function of Coulson and Fischer: A Third Way in Quantum Chemistry
Stephen Wilson
Part V. Advances in Density Functional Theory
14. Energy Densities of Exchange and Correlation in the Slowly Varying Region of the Airy Gas
John P. Perdew, Lucian A. Constantin, Adrienn Ruzsinszky
15. Orbital-Free Embedding Effective Potential in Analytically Solvable Cases
Andreas Savin, Tomasz A. Wesolowski
16. A Simple Analytical Density Model for Atoms and Ions Based on a Semiexplicit Density Functional
Ignacio Porras, Francisco Cordobés-Aguilar
Part VI. Advances in Concepts and Models
17. The Jahn–Teller Effect: Implications in Electronic Structure Calculations
Isaac B. Bersuker
18. Rules for Excited States of Degenerate Systems: Interpretation by Frozen Orbital Analysis
Hiromi Nakai
19. The Dissociation Catastrophe in Fluctuating-Charge Models and its Implications for the Concept of Atomic Electronegativity
Jiahao Chen, Todd J. Martínez
20. Information Planes and Complexity Measures for Atomic Systems, Ionization Processes and Isoelectronic Series
J.C. Angulo, J. Antolín
Nyckelord: Chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Condensed Matter Physics
- Författare
- Piecuch, Piotr
- Maruani, Jean
- Delgado-Barrio, Gerardo
- Wilson, Stephen
- Utgivare
- Springer
- Utgivningsår
- 2009
- Språk
- en
- Utgåva
- 1
- Serie
- Progress in Theoretical Chemistry and Physics
- Sidantal
- 461 sidor
- Kategori
- Naturvetenskaper
- Format
- E-bok
- eISBN (PDF)
- 9789048125968