1st Edition

Quantum Chemistry Classical to Computational

632 Pages

by CRC Press

632 Pages

by CRC Press

632 Pages

by CRC Press

Also available as eBook on:

Taylor & Francis eBooks
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Description

This book discusses major developments of quantum mechanics from classical to computational chemistry. The book is student and user friendly and includes exhaustive derivations, mathematical proofs, and theorems. A series of solved numerical have been added after each topic to have a better understanding of the subject. It will be helpful to Chemistry students at undergraduate and postgraduate... Read more

1. Classical Mechanics

2. Towards Quantum Mechanics

3. Introduction to Quantum Mechanics

4. Particle in a Box: Quantisation of Translational Energy

5. Rigid Rotator: Quantisation of Rotational Energy

6. Linear Harmonic Oscillator: Quantisation of Vibrational Energy

7. “Hydrogen Atom”: Quantisation of Electronic Energy

8. Multielectron System and Approximate Methods

9. Chemical Bonding

10. Hückel Molecular Orbital Theory

11. Basics of Computational Chemistry

Appendices