Quantum Chemistry

Classical to Computational

by ,
ISBN: 9788192959825
Subject Category:
Estimated Delivery Time: 7 to 10 days delivery


In stock








Designed explicitly to fill the yawning gaps between what is available to students of Quantum Chemistry and what is needed, Quantum Chemistry: Classical to Computational is a comprehensive, one-stop guide for students and academicians both.

The book deals with hard to understand concepts in Quantum Chemistry through handpicked diagrams and tables along with complete step by step proofs of derivations and calculations delivered through an efficient and highly user-friendly format.

The book comprises of chapters on every aspect of Quantum Chemistry ranging from Atomic Structure to Chemical Bonding of molecules and even includes an extensive question bank for self-testing.

The book includes topics like Classical Mechanics, Towards Quantum Mechanics, Introduction to Quantum Mechanics, Particle in a Box: Quantization of Translational Energy, and Rigid Rotator: Quantization of Rotational Energy.

It also includes Linear Harmonic Oscillator: Quantization of Vibrational Energy, Hydrogen Atom: Quantization of Electronic Energy, Multi-electron System & Approximate Methods, Chemical Bonding, Huckel Molecular Orbital Theory, and Basics of Computational Chemistry.

Salient Features:

1. Suited for everyone including undergraduates, postgraduates, researchers, and academicians

2. Development of subjects from basic to advanced levels

3. Categorically designed to be user-friendly and easy to read. The language of book is easy to understand and content is written in continuity, making the reader more comfortable in moving from one topic to another

4. Derivations, proofs, results, theories, and numericals are all included

5. Full background of a subject from conceptualisation of the idea to its proof is depicted including failed experiments

6. The book also provides supporting data in the form of illustrations, tables and reactions so as to make the topic easy to understand.

Topics Covered

  • Classical Mechanics
  • Towards Quantum Mechanics
  • Introduction to Quantum Mechanics
  • Particle in a Box: Quantization of Translational Energy
  • Rigid Rotator: Quantization of Rotational Energy
  • Linear Harmonic Oscillator: Quantization of Vibrational Energy
  • Hydrogen Atom: Quantization of Electronic Energy
  • Multi-electron System & Approximate Methods
  • Chemical Bonding
  • Huckel Molecular Orbital Theory
  • Basics of Computational Chemistry


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