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Advances in Chemical Physics, Quantum Information and Computation for Chemistry.
Examines 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 comprehensi...
| Clasificación: | Libro Electrónico |
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| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Hoboken :
Wiley,
2014.
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| Colección: | Advances in chemical physics.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Quantum 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.
- B. Numerical ExampleIV. 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.
- III. Quantum Chemistry: The CI MethodA. Second Quantization: Direct Mapping; B. FCI: Compact Mapping; IV. A Selection of Historical Calculations in Quantum Chemistry; A. The 1930s and 1940s; B. The 1950s; C. The 1960s; 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.
- 2. Phase Estimation AlgorithmII. 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.
- B. TDDFT and Quantum SimulationIV. 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."