New Methods in Computational Quantum Mechanics, Volume 93
New Methods in Computational Quantum Mechanics, Volume 93 by Ilya Prigogine, published by Wiley on June 2, 1997, is a comprehensive resource that explores advancements in quantum chemistry and its applications in predicting molecular properties. This edition spans 812 pages and is presented in English, offering a detailed overview of the technical developments that have made quantum chemical calculations a reliable tool for interpreting chemical phenomena and guiding laboratory experiments.
Readers will find a thorough survey of recent accomplishments in computational quantum chemistry, including evaluations of various methods such as Quantum Monte Carlo techniques and multiconfigurational perturbation theory. The volume is enhanced with over 150 illustrations, making complex concepts more accessible. This work aims to bridge the gap between practitioners and the broader community of chemical physicists, highlighting the significance of these advancements in the fields of science and chemistry.
Official synopsis Publisher
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 chemistry
- Monte Carlo methods for real-time path integration
- The Redfield equation in condensed-phase quantum dynamics
- Multiconfigurational perturbation theory—applications in electronic spectroscopy
- Electronic structure calculations for molecules containing transition metals
- And more.
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