Computational Quantum Chemistry - Prasad, Ram Yatan; Pranita; - Prospero Internet Bookshop
Basket (0)
Wishlist (0)
Your personal newsletter
__

 
Product details:
ISBN13:9780367679705
ISBN10:0367679701
Binding:Paperback
No. of pages:713 pages
Size:254x178 mm
Weight:453 g
Language:English
Illustrations: 102 Illustrations, black & white; 29 Tables, black & white
700
Category:

Computational Quantum Chemistry

 
Edition number: 2
Publisher: CRC Press
Date of Publication:
 
Normal price:
Publisher's listprice:
GBP 45.99
Estimated price in HUF:
24 144 HUF (22 995 HUF + 5% VAT)
Why estimated?
 
Your price:
21 730 (20 696 HUF + 5% VAT )
discount is: 10% (approx 2 414 HUF off)
The discount is only available for 'Alert of Favourite Topics' newsletter recipients.
Click here to subscribe.
 
Availability:
Not yet published.
 
Add to basket
  Piece(s)

 
Short description:

Computational Quantum Chemistry is an extremely useful tool for teaching and research alike. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods.

Long description:

Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked-out examples and unsolved problems for enhancing the computational skill of the users.



Features





  • Includes comprehensive coverage of most essential basic concepts



  • Achieves greater clarity with improved planning of topics and is reader-friendly



  • Deals with the mathematical techniques which will help readers to more efficient problem solving



  • Explains a structured approach for mathematical derivations



  • A reference book for academicians and scientific investigators

Ram Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a Professor of Chemistry and former Vice Chancellor of S.K.M University, Jharkhand, India.



Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an Assistant Professor of Chemistry at Vinoba Bhave University, India.


    Table of Contents:

    1. Quantum Theory 2. Wave?Particle Duality 3. Mathematical Techniques 4. Quantum Mechanical Operators 5. Postulates of Quantum Mechanics 6. The Schrödinger Equation 7. Playing with the Schrödinger Equation 8. Hydrogen Atom 9. Approximate Methods 10. Diatomic Molecules 11. Multielectronic Systems 12. Polyatomic Molecules 13. Hückel Molecular Orbital Theory/Method 14. Density Functional Theory