Quantum mechanics : a comprehensive text for chemistry

217 Pages·2010·6.45 MB·English

by  Arora

QUANTUM MECHANICS:
A COMPREHENSIVE TEXT
FOR CHEMISTRY
KISHOR ARORA
First Edition : 2010
Hal
GJIimalaya GJlublishingGJIouse
MUMBAI • NEW DELHI. NAG PUR • BENGALURU • HYDERABAD • CHENNAI • PUNE
LUCKNOW. AHMEDABAD. ERNAKULAM • BHUBANESWAR • INDORE. KOLKATA
© Author
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Preface
Studies of matter and to get structural parameters and properties of it has been a question in
front of mankind since past. Several experiments and observations were made in this regard,
Several laws and theories were given for this purpose. These studies can be broadly divided into
studies based on classical mechanics and those based on quantum mechanics. Classical mechanics
which is based on Newton's law of motion, was not able to explain the behaviour and concept of
black body radiation. Due to inadequacy of classical mechanics, quantum mechanic~ was originated.
This mechanics is based on concept of quantization as explained by Max Planck, Need to study
this mechanics is obvious if one has to get the first hand knowledge of structure and properties of
material/matter.
This mechanics has been a part of curricula of physical sciences at undergraduate as well as
postgraduate level. The present book includes 14 chapters starting from inadequacy uf classical
mechanics and covers basic and fundamental concepts of quantum mechanics including concept
of quantization of translational, vibration, rotation and electronic energies, introduction to concepts
of angular momenta, approximate methods and their applications, concepts related to electron
spin, symmetry concepts and quantum mechanics and ultimately the book features the theories of
chemical bonding and use of computer softwares in,quantum mechanics. Author hopes that this
book will cover the syllabi and serve the purpose of students' pursuing their studies in chemistry
at undergraduate and postgraduate level in different universities. Suggestions for further
improvement are Invited.
-Author

Acknowledgem.ents
On the occasion of publication of this book I wish to acknowledge with deep sense of
gratitude and indebtedness to all my teachers who framed me and shaped me as a faculty of
chemistry. I would like to mention a few names Prof. N.K. Ray. recipient of Dr. Shanti Swaroop
Bhatnagar award who taught me the subject during post graduate level. I am highly thankful to
Dr. R.K. Agarwal Editor-in-Chief, Asian 1. chern. who has been an ideal for me since childhood
and who guided me for my research degree. I bow my head and stand beholden to all my
teachers.
I am also thankful to Dr. Archana Bhardwaj (Principal). Dr. Prabha Mehta (Head) and all my
colleagues of my college. I am also thankful to my research colleagues and I would like mention
the name of Dr. D. Kumar here who has been always supporting in nature to me in the subject.
My thanks are also due to C-DAC and team of Pune llniversity vi::.., Prof. S.R. Gadre. Prof. S.P.
Gejji for supporting me with Quantum Chemical Packages/Softwares. I sincerely acknowledge
their contribution. I am also thankful to my research students who have supported me to carryout
research in the field.
Last but not the least I sincerely acknowledge the continuous support and efforts of my
parents Late Shri S.P. Arora and Smt. Swadesh Arora who have been always encouraging me
with full enthusiasm to come out with the best. I am also highly thankful to my family viz ... Mrs.
Reena Arora (wife), Ms. Yashaswina Arora (Daughter) and Master Chittin Arora (Son) for their
continuous understanding. My thanks are also due to Dhamija family viz .. Shri S.P. Dhamija
(Father-in-law), Mrs. Sheela Dhamija (Mother-in-law) Mr. Deepak Dhamija (Brother-in-law).
Mrs. Simmi Dhamija (Sister-in-law) and Master Vibhor Dhamija for their cooperation.
I would like to extend my gratitude to the readers of this book and their suggestions for
improvement are invited.
Author

CONTENTS
Section - 1
I. Classical Mechanics and Origin of Quantum Mechanics 3-26
2. Fundamental Concepts of Quantum Mechanics 27-44
Section - 2
3. Quantization of Translation Energy 47-62
4. Quantization of Vibration Energy 63-71
5. Quantization of Rotation Energy 72-82
6. Hydrogen Like Atoms 83-100
Section - 3
7. Introduction to Approximate Methods 103-109
8. Variation Theorem and its Application 110-118
9. Perturbation Method and its Application 119-123
10. Introduction to Angular Momentum 124-136
11. Electron Spin and Related Concepts 137-152
Section - 4
12. Concepts of Symmetry and Quantum Mechanics 155-173
t 3. Theories of Chemical Bonding 174-194
Section - 5
t Introduction to use of Computers in Quantum Mechanics 197-204
Bibliography 205-207
Appendix 208

SECTION-1
1. Classical Mechanics and Origin of Quantum Mechanics
2. Fundamental Concepts of Quantum Mechanics