Computational Quantum Chemistry II - The Group Theory Calculator: Computational Quantum Chemistry II - The Group Theory Calculator Group Theory Calculator Pt. II

Computational Quantum Chemistry II - The Group Theory Calculator: Computational Quantum Chemistry II - The Group Theory Calculator Group Theory Calculator Pt. II

2 (1 rating by Goodreads)
By (author)  , By (author)  , By (author) 

List price: US$230.00

Currently unavailable

Add to wishlist

AbeBooks may have this title (opens in new window).

Try AbeBooks

Description

Modern Computational Quantum Chemistry is indispensable for research in the chemical sciences. Computational Quantum Chemistry II - The Group Theory Calculator describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the 'Spherical Shell' method, can be applied to solve a variety of problems that benefit from a group theory analysis.
To complement the theory, the book is supplied with a CD-ROM (Windows (TM) application), on which interactive files, based on EXCEL spreadsheet technology controlled by Visual Basic code, can be used to perform straightforwardly group-theory analyses for direct application to the simplification of physical problems in Chemistry, Physics and even Engineering Science.
The Group Theory Calculator Web page is located at http://www.chemistry.nuim.ie/gt_calculator.htm. The primary purpose of this Web page is to identify and resolve any problems encountered while using the MS EXCEL files on the CD-ROM (included with the book). The Web page is maintained by Charles M. Quinn and allows readers to gain updates and news relating to this publication.
show more

Product details

  • Hardback | 196 pages
  • 174 x 244 x 16mm | 539.78g
  • Academic Press Inc
  • San Diego, United States
  • English
  • 0123704561
  • 9780123704566

Table of contents

1. Operating instructions for the Group Theory Calculator.
2. Geometry, orbits and decorations.
3. Decorations of orbits using local functions: reducible characters for s, p, d, ... local functions; central polynomial functions as basis sets for the irreducible representations of the point groups; the construction of group orbitals.
4. Symmetrized powers and their applications.
show more

Rating details

1 ratings
2 out of 5 stars
5 0% (0)
4 0% (0)
3 0% (0)
2 100% (1)
1 0% (0)
Book ratings by Goodreads
Goodreads is the world's largest site for readers with over 50 million reviews. We're featuring millions of their reader ratings on our book pages to help you find your new favourite book. Close X