Cart
Free Shipping in the UK
Proud to be B-Corp

Methods in Computational Chemistry Stephen Wilson

Methods in Computational Chemistry By Stephen Wilson

Methods in Computational Chemistry by Stephen Wilson


£147.59
Condition - New
Only 2 left

Summary

When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow.

Methods in Computational Chemistry Summary

Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms and Molecules by Stephen Wilson

When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just beginning. There followed a long period in which the fundamental theory of the "golden age" (1925-1935) was extended and refined and in which the dreams of the early practitioners were gradually turned into hard arithmetic reality. As a still-computing survivor from the early postwar days now enjoying the benefits of unbelievably improved hardware, I am glad to contribute a foreword to this series and to have the opportunity of providing a little historical perspective. After the Brunsviga came the electromechanical machines of the late 1940s and early 1950s, and a great reduction in the burden of calculating molecular wavefunctions. We were now happy. At least for systems con taining a few electrons it was possible to make fully ab initio calculations, even though semiempirical models remained indispensable for most molecules of everyday interest. The 1950 papers of Hall and of Roothaan represented an important milestone along the road to larger-scale non empirical calculations, extending the prewar work of Hartree and Fock from many-electron atoms to many-electron molecules-and thus into "real chemistry.

Table of Contents

1. Electron Correlation in Atoms.- 2. Electron Correlation in Molecules.- 3. Four-Index Transformations.- 4. Greens Function Monte Carlo Methods.- Author Index.

Additional information

NPB9780306426452
9780306426452
0306426455
Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms and Molecules by Stephen Wilson
New
Hardback
Springer Science+Business Media
1987-11-30
364
N/A
Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
This is a new book - be the first to read this copy. With untouched pages and a perfect binding, your brand new copy is ready to be opened for the first time

Customer Reviews - Methods in Computational Chemistry