2nd Edition

Computational Quantum Chemistry

By Ram Yatan Prasad, Pranita Copyright 2021
713 Pages 102 B/W Illustrations
by CRC Press

713 Pages 102 B/W Illustrations
by CRC Press

713 Pages 102 B/W Illustrations
by CRC Press

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... Read more

1. Quantum Theory

2. Wave–Particle Duality

3. Mathematical Techniques

4. Quantum Mechanical Operators

5. Postulates of Quantum Mechanics

6. The Schrödinger Equation

7. Playing with the Schrödinger Equation

8. Hydrogen Atom

9. Approximate Methods

10. Diatomic Molecules

11. Multielectronic Systems

12. Polyatomic Molecules

13. Hückel Molecular Orbital Theory/Method

14. Density Functional Theory

Biography

Ram Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a professor of chemistry and former vice chancellor of S.K.M University, Jharkhand, India, and a life fellow of Indian Chemical Society and other societies of repute. He has been two times pro-vice chancellor in Bihar and Jharkhand. To his credit, he has been a member of editorial board in national journals. He has received an Outstanding Service Award from the Governor of Jharkhand. He has been chairperson of World Academy of Sciences, Paris, France, in the international conference and has received an Appreciation Award. He has more than 46 years of experience in teaching quantum chemistry, spectroscopy, and thermodynamics at the postgraduate level. Dr. Prasad is a prolific author of chemistry and has published many research papers in reputed journals to his credit.

Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an assistant professor of chemistry at Vinoba Bhave University, India. She has published many research papers in national and international journals to her credit. Her area of interest is thermodynamics of liquid state. She has 12 years of teaching experience in quantum chemistry, statistics, and liquid state.