Quantum Chemistry

Classical to Computational
1. Auflage 2026
ISBN: 978-1-032-78990-3
Verlag: Taylor & Francis Ltd

Buch, Englisch, 632 Seiten, Format (B × H): 156 mm x 234 mm, Gewicht: 1170 g

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 level, as well for those appearing in various competitive examinations.

Print edition not for sale in South Asia (India, Sri Lanka, Nepal, Bangladesh, Pakistan or Bhutan)

Zielgruppe

General, Postgraduate, and Undergraduate Advanced

Autoren/Hrsg.

Dua, Amita

Singh, Chayannika

Fachgebiete

• Technische Wissenschaften Verfahrenstechnik | Chemieingenieurwesen | Biotechnologie Verfahrenstechnik, Chemieingenieurwesen
• Naturwissenschaften Chemie Chemie Allgemein
• Naturwissenschaften Chemie Physikalische Chemie

Inhaltsverzeichnis

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

Index

Über Autor(innen)

Amita Dua, Assistant Professor, Department of Chemistry, Dyal Singh College, University of Delhi, Delhi, India

Chayannika Singh, Assistant Professor, Department of Chemistry, Deen Dayal Upadhyaya College, University of Delhi, Delhi, India