Principles and Applications of Quantum Chemistry
Auteur : Gupta V.P.
1. Basic Principles of Quantum Chemistry2. Many-Electron Atoms and Self-Consistent Fields3. Self-Consistent Field Molecular Orbital Theory4. Approximate Molecular Orbital Theories5. Density Functional Theory (DFT) and Time Dependent DFT (TDDFT)6. Electron Density Analysis and Electrostatic Potential7. Molecular Geometry Predictions8. Vibrational Frequencies and Intensities9. Interaction of Radiation and Matter and Electronic Spectra10. Energy and Force Concepts in Chemical Bonding11. Topological Analysis of Electron Density - Quantum Theory of Atoms in Molecules12. Characterization of Chemical Reactions
High-level students and researchers in chemistry, material science, biochemistry, chemical engineering
- Simplified mathematical content and derivations for reader understanding
- Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT)
- Accessible level for students and researchers interested in the use of quantum chemistry tools
Date de parution : 10-2015
Ouvrage de 478 p.
19x23.3 cm