Methods of Electronic Structure Theory - Modern Theoretical Chemistry 3 (Paperback)
  • Methods of Electronic Structure Theory - Modern Theoretical Chemistry 3 (Paperback)
zoom

Methods of Electronic Structure Theory - Modern Theoretical Chemistry 3 (Paperback)

(author)
£89.99
Paperback 462 Pages / Published: 13/02/2013
  • We can order this

Usually dispatched within 3 weeks

  • This item has been added to your basket
These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schroedinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3.

Publisher: Springer-Verlag New York Inc.
ISBN: 9781475708899
Number of pages: 462
Weight: 828 g
Dimensions: 244 x 170 x 25 mm

You may also be interested in...

Foundations of Physics for Chemists
Added to basket
Napoleon'S Buttons
Added to basket
Molecular Quantum Mechanics
Added to basket
Note-by-Note Cooking
Added to basket
£22.00
Hardback
Molecular Modelling
Added to basket
£69.99
Paperback
Surfaces
Added to basket
£21.99
Paperback
Reactions
Added to basket
£12.99
Paperback
Chemical Structure and Reactivity
Added to basket
Why Chemical Reactions Happen
Added to basket
Elegant Solutions
Added to basket
£19.95
Hardback
Quantum Theory of Collective Phenomena
Added to basket
Renormalization Methods
Added to basket
Physical Chemistry for the Life Sciences
Added to basket

Please sign in to write a review

Your review has been submitted successfully.