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Many-Electron Approaches in Physics, Chemistry and Mathematics, 2014 A Multidisciplinary View Mathematical Physics Studies Series

Langue : Anglais

Coordonnateurs : Bach Volker, Delle Site Luigi

Couverture de l’ouvrage Many-Electron Approaches in Physics, Chemistry and Mathematics

This book provides a broad description on the development and (computational) application of the many-electron approaches from a multidisciplinary perspective. For the study of many-electron systems Computer Science, Chemistry, Mathematics, Physics, are intimately interconnected, however, despite some communities work at the border between those disciplines, still there is a marked separation of subjects. This book would like to offer a common platform for possible exchanges between the various fields and (possibly) suggest to the reader perspectives of further developments across the disciplines. The fast progress of modern technology will inevitably require a substantial improvement of the approaches currently used, to efficiently improve the current methodology the exchange between disciplines is mandatory, in essence this book is one of the very first attempts to bridge disciplines for the many-electron problem.

Topics in Quantum Chemistry.- Relativistic Quantum Theory of Many-Electron Systems.- Spurious Modes in Dirac Calculations and how to avoid them.- Tensor product approximation (DMRG) and Coupled Cluster Method in Quantum Chemistry.- Quantum Cluster Equilibrium.- Linear Response Methods in Quantum Chemistry.- Topics in Density Functional Theory and Related Approaches.- Progress on New Approaches to Old Ideas: Orbital-free Density Functionals.- Time-dependent Density Functional Theory.- Density Functional Theory for Strongly-Interacting Electrons.- Towards the Computational Design of Compounds from First Principles.- Application of (Kohn-Sham) Density Functional Theory to Real Materials.- The Quantum Energy agrees with the Muller Energy up to the Third Order.- Mathematical Aspects of Density Functionals and Density Matrix Functionals in Quantum Chemistry.- Some (important?) unsolved Mathematical Problems in Molecular Simulation.- Topics in Computer Science.- The Computational Complexity of Density Functional Theory.- Computational Techniques for Density Functional-based Molecular Dynamics Calculations in Plane-Wave and Localized Basis Sets.- Information Theory in Many-Electron Descriptions.- Towards the Information-Theoretic Construction of an Orbital-free Kinetic Energy Functional.- Lieb-Robinson Bounds and Simulation of Time Evolution of Local Observables in Lattice Systems.- Green Function-based Approaches.- Electronic Structure Calculations with LDA+DMFT.- The GW Approximation for the Electronic Self-Energy.- Topics in Quantum Monte Carlo and Related Approaches.- Levy-Lieb Principle meets Quantum Monte Carlo.- The new Resonating Valence Bond Method for ab-initio Electronic Simulations. Mathematical Perspective on Quantum Monte Carlo Methods.- Open Problems: A wish list of Mel Levy and Elliot Lieb.

First book bridging disciplines for the many-electron problem

Written by researchers at the cutting edge in their respective fields

Great care is taken to make each chapter accessible for people with different background (computer science, chemistry, mathematics, physics)

Date de parution :

Ouvrage de 417 p.

15.5x23.5 cm

Disponible chez l'éditeur (délai d'approvisionnement : 15 jours).

Prix indicatif 100,21 €

Ajouter au panier

Date de parution :

Ouvrage de 417 p.

15.5x23.5 cm

Disponible chez l'éditeur (délai d'approvisionnement : 15 jours).

100,21 €

Ajouter au panier
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