LEADER 05573nam 22007095 450 001 9910300380503321 005 20200703033630.0 010 $a3-319-06379-0 024 7 $a10.1007/978-3-319-06379-9 035 $a(CKB)3710000000168192 035 $a(EBL)1782929 035 $a(SSID)ssj0001297483 035 $a(PQKBManifestationID)11743184 035 $a(PQKBTitleCode)TC0001297483 035 $a(PQKBWorkID)11363398 035 $a(PQKB)10374472 035 $a(MiAaPQ)EBC1782929 035 $a(DE-He213)978-3-319-06379-9 035 $a(PPN)17992611X 035 $a(EXLCZ)993710000000168192 100 $a20140701d2014 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aMany-Electron Approaches in Physics, Chemistry and Mathematics $eA Multidisciplinary View /$fedited by Volker Bach, Luigi Delle Site 205 $a1st ed. 2014. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2014. 215 $a1 online resource (410 p.) 225 1 $aMathematical Physics Studies,$x0921-3767 300 $aDescription based upon print version of record. 311 $a1-322-13535-5 311 $a3-319-06378-2 320 $aIncludes bibliographical references at the end of each chapters. 327 $aTopics 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. 330 $aThis book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem. 410 0$aMathematical Physics Studies,$x0921-3767 606 $aMathematical physics 606 $aChemistry, Physical and theoretical 606 $aArtificial intelligence 606 $aTheoretical, Mathematical and Computational Physics$3https://scigraph.springernature.com/ontologies/product-market-codes/P19005 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aMathematical Physics$3https://scigraph.springernature.com/ontologies/product-market-codes/M35000 606 $aArtificial Intelligence$3https://scigraph.springernature.com/ontologies/product-market-codes/I21000 615 0$aMathematical physics. 615 0$aChemistry, Physical and theoretical. 615 0$aArtificial intelligence. 615 14$aTheoretical, Mathematical and Computational Physics. 615 24$aTheoretical and Computational Chemistry. 615 24$aMathematical Physics. 615 24$aArtificial Intelligence. 676 $a530.144 702 $aBach$b Volker$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aDelle Site$b Luigi$4edt$4http://id.loc.gov/vocabulary/relators/edt 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910300380503321 996 $aMany-Electron Approaches in Physics, Chemistry and Mathematics$91770486 997 $aUNINA