Quantum Chemistry

Classical to Computational

Amita Dua, Chayannika Singh (Autoren)

Buch | Hardcover

621 Seiten

2024
CRC Press (Verlag)
978-1-032-78989-7 (ISBN)

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This book discusses major developments of quantum mechanics from classical to computational chemistry. It is student and user friendly and includes exhaustive derivations, mathematical proofs, and theorems.

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)

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

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

Erscheinungsdatum	22.08.2024
Verlagsort	London
Sprache	englisch
Maße	156 x 234 mm
Gewicht	1330 g
Themenwelt	Naturwissenschaften ► Biologie
Themenwelt	Naturwissenschaften ► Chemie ► Physikalische Chemie
ISBN-10	1-032-78989-1 / 1032789891
ISBN-13	978-1-032-78989-7 / 9781032789897
Zustand	Neuware