Accurate Condensed-Phase Quantum Chemistry
Author:   Fred Manby
Publisher:   Taylor & Francis Ltd
ISBN:  

9781138374140


Pages:   220
Publication Date:   10 September 2018
Format:   Paperback
Availability:   In Print   Availability explained
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Accurate Condensed-Phase Quantum Chemistry


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Author:   Fred Manby
Publisher:   Taylor & Francis Ltd
Imprint:   CRC Press
Weight:   0.453kg
ISBN:  

9781138374140


ISBN 10:   1138374148
Pages:   220
Publication Date:   10 September 2018
Audience:   College/higher education ,  General/trade ,  Tertiary & Higher Education ,  General
Format:   Paperback
Publisher's Status:   Active
Availability:   In Print   Availability explained
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

Table of Contents

Laplace transform second-order Møller-Plesset methods in the atomic orbital basis for periodic systems. Density fitting for correlated calculations in periodic systems. The method of increments—a wavefunction-based correlation method for extended systems. The hierarchical scheme for electron correlation in crystalline solids. Electrostatically embedded many-body expansion for large systems. Electron correlation in solids: delocalized and localized orbital approaches. Ab-initio Monte-Carlo simulations of liquid water.

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Author Information

Frederick R. Manby is a Reader in the Centre for Computational Chemistry in the School of Chemistry at the University of Bristol, and was previously a Royal Society University Research Fellow. His research has focused on two main areas: first, on the development of efficient and accurate electronic structure methods for large molecules. Second, he has worked on the accurate treatment of condensed-phase systems, including electron correlation in crystalline solids, and on the application of wavefunction-based electronic structure theories to molecular liquids, particularly water. Dr. Manby was awarded the Annual Medal of the International Academy of Quantum Molecular Sciences (2007) and the Marlow Medal of the Royal Society of Chemistry (2006) in recognition of his research on molecular electronic structure theory.

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