Description
Taylor & Francis Ltd Computational Quantum Chemistry 2021 Edition by Ram Yatan Prasad, Pranita
Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked-out examples and unsolved problems for enhancing the computational skill of the users.FeaturesIncludes comprehensive coverage of most essential basic conceptsAchieves greater clarity with improved planning of topics and is reader-friendlyDeals with the mathematical techniques which will help readers to more efficient problem solvingExplains a structured approach for mathematical derivationsA reference book for academicians and scientific investigatorsRam Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a Professor of Chemistry and former Vice Chancellor of S.K.M University, Jharkhand, India.Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an Assistant Professor of Chemistry at Vinoba Bhave University, India. Table of Content :- 1. Quantum Theory2. Wave-Particle Duality3. Mathematical Techniques4. Quantum Mechanical Operators5. Postulates of Quantum Mechanics6. The Schroedinger Equation7. Playing with the Schroedinger Equation8. Hydrogen Atom9. Approximate Methods10. Diatomic Molecules11. Multielectronic Systems12. Polyatomic Molecules13. Huckel Molecular Orbital Theory/Method14. Density Functional Theory