Principles and Applications of Quantum Chemistry

Provides useful introduction to the foundations and recent advances in Quantum Chemistry as well as valuable guidance to utilizing quantum chemistry tools

V.P. Gupta (Author)

9780128034781

Paperback, published 27 October 2015

478 pages
23.4 x 19 x 3 cm, 1 kg

"A large number of examples to support different applications have been given. Bibliography at the end of each chapter aims at opening the door for those who intend to pursue quantum chemistry more deeply. Overall, a very useful book for researchers and graduate students." --Zentralblatt MATH

Approx.460 pages

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

Subject Areas: Physical chemistry [PNR], Chemical physics [PHVQ], Atomic & molecular physics [PHM]