New Methods in Computational Quantum Mechanics, Volume 93 Paperback / softback
Edited by Ilya (University of Texas, Austin and International Solvay Institutes, University Libre d Prigogine, Stuart A. (The James Franck Institute, The University of Chicago, Illinois) Rice
Part of the Advances in Chemical Physics series
Paperback / softback
Description
The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations.
In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently.
These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments.
However, the success of these recent developments is not well known outside the community of practitioners.
In order to make the larger community of chemical physicists aware of the current state of the subject, this self-contained volume of Advances in Chemical Physics surveys a number of the recent accomplishments in computational quantum chemistry.
Supplemented with more than 150 illustrations, this volume provides evaluations of a broad range of methods, including: Quantum Monte Carlo methods in chemistryMonte Carlo methods for real-time path integrationThe Redfield equation in condensed-phase quantum dynamicsMulticonfigurational perturbation theory-applications in electronic spectroscopyElectronic structure calculations for molecules containing transition metalsAnd more.
Information
-
Available to Order - This title is available to order, with delivery expected within 2 weeks
- Format:Paperback / softback
- Pages:812 pages
- Publisher:John Wiley & Sons Inc
- Publication Date:19/06/1997
- Category:
- ISBN:9780471191278
Information
-
Available to Order - This title is available to order, with delivery expected within 2 weeks
- Format:Paperback / softback
- Pages:812 pages
- Publisher:John Wiley & Sons Inc
- Publication Date:19/06/1997
- Category:
- ISBN:9780471191278
