LEADER 05700nam 2200709 450 001 9910140440903321 005 20210604112403.0 010 $a1-118-74263-X 010 $a1-118-74260-5 010 $a1-118-74258-3 035 $a(CKB)2670000000523113 035 $a(EBL)1629283 035 $a(SSID)ssj0001171809 035 $a(PQKBManifestationID)11674982 035 $a(PQKBTitleCode)TC0001171809 035 $a(PQKBWorkID)11195193 035 $a(PQKB)11519009 035 $a(OCoLC)874173969 035 $a(MiAaPQ)EBC1629283 035 $a(Au-PeEL)EBL1629283 035 $a(CaPaEBR)ebr10837055 035 $a(OCoLC)870587319 035 $a(PPN)233093419 035 $a(EXLCZ)992670000000523113 100 $a20140220h20142014 uy 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt 182 $cc 183 $acr 200 00$aQuantum information and computation for chemistry$hVolume 154$iAdvances in chemical physics /$fedited by Sabre Kais, Stuart A. Rice, Aaron R. Dinner 210 1$aHoboken, New Jersey :$cWiley,$d2014. 210 4$dİ2014 215 $a1 online resource (673 p.) 225 1 $aAdvances in Chemical Physics ;$vVolume 154 300 $aDescription based upon print version of record. 311 $a1-118-49566-7 320 $aIncludes bibliographical references at the end of each chapters and indexes. 327 $aQuantum Information and Computation for Chemistry; Contributors to Volume 154; Foreword; Preface to The Series; Contents; Introduction to Quantum Information and Computation for Chemistry; I. Introduction; A. Qubits and Gates; B. Circuits and Algorithms; C. Teleportation; II. Quantum Simulation; A. Introduction; B. Phase Estimation Algorithm; 1. General Formulation; 2. Implementation of Unitary Transformation U; 3. Group Leaders Optimization Algorithm; 4. Numerical Example; 5. Simulation of the Water Molecule; III. Algorithm for Solving Linear Systems Ax = b; A. General Formulation 327 $aB. Numerical Example IV. Adiabatic Quantum Computing; A. Hamiltonians of n-Particle Systems; B. The Model of Adiabatic Computation; C. Hamiltonian Gadgets; V. Topological Quantum Computing; A. Anyons; B. Non-Abelian Braid Groups; C. Topological Phase of Matter; D. Quantum Computation Using Anyons; VI. Entanglement; VII. Decoherence; VIII. Major Challenges and Opportunities; References; Back to The Future: A Roadmap for Quantum Simulation from Vintage Quantum Chemistry; I. Introduction; II. Quantum Computing; A. Phase Estimation; B. Time Evolution and the Cartan Decomposition 327 $aIII. Quantum Chemistry: The CI Method A. Second Quantization: Direct Mapping; B. FCI: Compact Mapping; IV. A Selection of Historical Calculations in Quantum Chemistry; A. The 1930's and 1940's; B. The 1950's; C. The 1960's; V. Boys's 1950 Calculation for Be; VI. Conclusions; References; Introduction to Quantum Algorithms for Physics and Chemistry; I. Introduction; A. Quantum Computational Complexity and Chemistry; 1. An Exponential Wall for Many-Body Problems; 2. Computational Complexity of Quantum Simulation; B. Basic Quantum Algorithms for Digital Quantum Simulation; 1. Quantum Fourier Transform 327 $a2. Phase Estimation Algorithm II. Digital Quantum Simulation; A. Overview; B. Simulation of Time Evolution; 1. Suzuki-Trotter Formulas; 2. First-Quantized Representation; 3. Second-Quantized Representation; 4. Open-System Dynamics; C. State Preparation; 1. Preparing Ground States; 2. Preparing Thermal States Using Quantum Metropolis; 3. Preparing Thermal States with Perturbative Updates; D. Algorithmic Quantum Cooling; 1. Basic Idea of the Quantum Cooling Method; 2. Connection with Heat-Bath Algorithmic Cooling; III. Special Topics; A. Adiabatic Nondestructive Measurements 327 $aB. TDDFT and Quantum Simulation IV. Conclusion and Outlook; References; Quantum Computing Approach to Nonrelativistic and Relativistic Molecular Energy Calculations; I. Overview; II. Quantum Computing Background; A. Quantum Fourier Transform; B. Semiclassical Approach to Quantum Fourier Transform; C. Phase Estimation Algorithm; D. Iterative Phase Estimation Algorithm; III. Quantum Full Configuration Interaction Method; A. Mapping of Quantum Chemical Wave Functions onto Quantum Register; B. Initial States for the Algorithm; 1. Adiabatic State Preparation; C. Controlled "Time Propagation" 327 $a1. Decomposition of Unitary Propagator to Elementary Quantum Gates 330 $aExamines the intersection of quantum information and chemical physics The Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics. This volume of the series explores the latest research findings, applications, and new research paths from the quantum information. 410 0$aAdvances in chemical physics ;$vv. 154. 606 $aChemistry, Physical and theoretical 615 0$aChemistry, Physical and theoretical. 676 $a541.3 686 $aVE 2300$2rvk 686 $aUA 1024$2rvk 686 $aVC 6100$2rvk 701 $aKais$b Sabre$0974728 701 $aRice$b Stuart A$012863 701 $aDinner$b Aaron R$0857288 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910140440903321 996 $aQuantum information and computation for chemistry$92219557 997 $aUNINA