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Quantum Monte-Carlo Programming: For Atoms, Molecules, Clusters, and Solids / Edition 1

Quantum Monte-Carlo Programming: For Atoms, Molecules, Clusters, and Solids / Edition 1

by Wolfgang Schattke, Ricardo Diez Muino
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Product Details

ISBN-13: 9783527408511
Publisher: Wiley
Publication date: 08/05/2013
Pages: 296
Product dimensions: 7.00(w) x 9.40(h) x 0.70(d)

About the Author

Wolfgang Schattke is a retired member of the Institut für Theoretische Physik und Astrophysik der Christian-Albrechts-University Kiel where his teaching covered the branch of theoretical physics from the basic courses to advanced topics of the PhD curriculum. His research interests focus on material properties of the solid state and its surfaces investigated with ab-initio electronic structure methods. Besides studying numerical access to photoemission spectroscopy, his scientific efforts point to many-body theory where Quantum Monte-Carlo offers a central tool to complete the successful application of Density Functional Theory to material sciences.

Ricardo Díez Muino is Vice Director of the Centro de Física de Materiales, a Joint Center between the University of the Basque Country UPV/EHU and the Spanish Research Council CSIC in San Sebastian. Previously, he developed his research activity in the Donostia International Physics Center DIPC (Spain), the Lawrence Berkeley National Laboratory (USA), and the Université de Bordeaux (France). His main field of research is condensed matter theory, particularly electronic excitations in metallic systems, with some excursions into atomic and molecular physics.

Table of Contents

A first monte-carlo example
Variational Quantum-Monte-Carlo for a One-Electron System
Two electrons with two adiabatically decoupled nuclei: Hydrogen molecule
Three electrons: Lithium Atom
Many- electron confined systems
Many- electron atomic aggregates: Lithium cluster
Infinite number of electrons: Lithium solid
Diffusion quantum Monte- Carlo (DQMC)

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