Verfügbarkeit: Many-electron approaches in physics, chemistry and mathematics

Many-electron approaches in physics, chemistry and mathematics: a multidisciplinary view

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Format:	Buch
Sprache:	English
Veröffentlicht:	Cham [u.a.] Springer 2014
Schriftenreihe:	Mathematical physics studies
Schlagworte:	Vielelektronenproblem Aufsatzsammlung
Online-Zugang:	Inhaltsverzeichnis Klappentext
Beschreibung:	Includes bibliographical references
Beschreibung:	IX, 417 S. Ill., graph. Darst. 25 cm
ISBN:	9783319063782

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MARC


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Datensatz im Suchindex

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adam_text	Contents Part I Topics in Quantum Chemistry Relativistìc Quantum Theory of Many-Electron Systems ........... 3 Benjamin Simmen and Markus Reiher Spurious Modes in Dirac Calculations and How to Avoid Them ..... 31 Mathieu Lewin and Éric Seré Tensor Product Approximation (DMRG) and Coupled Cluster Method in Quantum Chemistry ............................. 53 Örs Legeza, Thorsten Rohwedder, Reinhold Schneider and Szilárd S zal ay Quantum Cluster Equilibrium .............................. 77 Barbara Kirchner, Frank Weinhold, Joachim Friedrich, Eva Perlt and Sebastian В. С Lehmann Linear Response Methods in Quantum Chemistry ............... 97 Tobias Watermann, Arne Scherrer and Daniel Sebastiani Part Π Topics in Density Functional Theory and Related Approaches Progress on New Approaches to Old Ideas: Orbital-Free Density Functionals ...................................... 113 Valentin V. Karasiev, Debajit Chakraborty and S. B. Tnckey Time-Dependent Density Functional Theory .................... 135 Nikos L. Doltsmis Density Functional Theory for Strongly-Interacting Electrons ....... 153 Francese Malet, André Mirtschink, Klaas J. H. Giesbertz and Paola Gori-Giorgi vin Contents Towards the Computational Design of Compounds from First Principles ..................................... 169 O. Anatole von Lilienfeld Application of (Kohn-Sham) Density-Functional Theory to Real Materials ........................................ 191 Luca M. Ghiringhelli The Quantum Energy Agrees with the Müller Energy up to Third Order ....................................... 207 Heinz Siedentop Mathematical Aspects of Density Functionals and Density Matrix Functionals in Quantum Chemistry .................... 219 Volker Bach Some (Important?) Unsolved Mathematical Problems in Molecular Simulation .................................. 235 Claude Le Bns Part III Topics in Computer Science The Computational Complexity of Density Functional Theory ...... 245 James Daniel Whitfield, Norbert S chuch and Frank Verstraete Computational Techniques for Density Functional Based Molecular Dynamics Calculations in Plane-Wave and Localized Basis Sets .................................. 261 Alexandar T. Tzanov and Mark E. Tuckerman Part IV Information Theory in Many-Electron Descriptions Towards the Information-Theoretic Construction of an Orbital-Fre« Kinetic-Energy Functional .................. 287 Ian P. Hamilton Lieb-Robinson Bounds and the Simulation of Time-Evolution of Local Observables in Lattice Systems ....................... 301 Martin Kliesch, Christian Gogolin and Jens Eisert Contents їх Part V Green Function-Based Approaches Electronic Structure Calculations with LDA+DMFT ............. 321 Eva Pavaxim The GW Approximation for the Electronic Self-Energy ........... 343 Amo Schindlmayr Part VI Topics in Quantum Monte Carlo and Related Approaches Levy-Lieb Principle Meets Quantum Monte Carlo ............... 361 Luigi Delle Site The New Resonating Valence Bond Method for Ab-Initio Electronic Simulations .................................... 377 Sandro Sorella and Andrea Zen Mathematical Perspective on Quantum Monte Carlo Methods ...... 393 Eric Canees Part VII Epilogue On Some Open Problems in Many-Electron Theory .............. 413 Volker Bach and Luigi Delle Site Mathematical Physio Studies Volker Bach · Luigi Delle Site Editors Many-Electron Approaches in Physic, Chemistry and Mathematics A Multidisciplinary View This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many- electron problem.
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title	Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view
title_auth	Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view
title_exact_search	Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view
title_full	Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view Volker Bach ..., eds.
title_fullStr	Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view Volker Bach ..., eds.
title_full_unstemmed	Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view Volker Bach ..., eds.
title_short	Many-electron approaches in physics, chemistry and mathematics
title_sort	many electron approaches in physics chemistry and mathematics a multidisciplinary view
title_sub	a multidisciplinary view
topic	Vielelektronenproblem (DE-588)4188249-0 gnd
topic_facet	Vielelektronenproblem Aufsatzsammlung
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