Your Waterstones card is changing, introducing...
TELL ME MORE
A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements - SpringerBriefs in Molecular Science (Paperback)
  • A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements - SpringerBriefs in Molecular Science (Paperback)
zoom

A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements - SpringerBriefs in Molecular Science (Paperback)

(author), (author)
£49.99
Paperback 110 Pages / Published: 04/12/2013
  • We can order this

Usually despatched within 3 weeks

  • This item has been added to your basket

A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements covers the most recent progress in the development of a new generation of density functional theory (DFT) for accurate descriptions of thermochemistry, thermochemical kinetics, and nonbonded interactions of main group molecules. In this book, the authors present the doubly hybrid density functionals (DHDFs), which dramatically improve the accuracy for predictions of critical properties by including the role of the virtual (unoccupied) orbitals. The authors not only discuss the theoretical bases of three classes of DHDFs but also demonstrate their performance using some well-established benchmarking data sets.

Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN: 9783642404207
Number of pages: 110
Weight: 1942 g
Dimensions: 235 x 155 x 7 mm
Edition: 2014 ed.

You may also be interested in...

In Search Of Schrodinger's Cat
Added to basket
£9.99   £7.99
Paperback
Higgs Force
Added to basket
£12.99
Paperback
30-Second Quantum Theory
Added to basket
Our Mathematical Universe
Added to basket
Computing with Quantum Cats
Added to basket
How to Teach Quantum Physics to Your Dog
Added to basket
Higgs
Added to basket
£9.99
Paperback
Introducing Quantum Theory
Added to basket
Quantum Theory Cannot Hurt You
Added to basket
Lectures on Quantum Mechanics
Added to basket
Antimatter
Added to basket
£8.99
Paperback
Quantum Physics
Added to basket
The Elegant Universe
Added to basket

Reviews

Please sign in to write a review

Your review has been submitted successfully.