Quantum Monte Carlo programming: for atoms, molecules, clusters, and solids
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Weinheim
Wiley-VCH
2013
|
| Schlagworte: | |
| Online-Zugang: | FRO01 UBT01 Volltext |
| Beschreibung: | Includes bibliographical references (p. 269-271) and index In one source, this textbook provides quick and comprehensive access to quantitative calculations in materials science. The authors address both newcomers as well as researchers who would like to become familiar with QMC in order to apply to their research. As such, they cover the basic theory required for applying the method, and describe how to transfer this knowledge into calculation. The book includes a series of problems of increasing difficulty with associated stand-alone programs which will be available for free download |
| Beschreibung: | 1 Online-Ressource |
| ISBN: | 9783527675319 9783527675326 9783527675746 9783527676729 |
Internformat
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| 100 | 1 | |a Schattke, Wolfgang |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Quantum Monte Carlo programming |b for atoms, molecules, clusters, and solids |c Wolfgang Schattke and Ricardo Díez Muiño |
| 264 | 1 | |a Weinheim |b Wiley-VCH |c 2013 | |
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| 500 | |a Includes bibliographical references (p. 269-271) and index | ||
| 500 | |a In one source, this textbook provides quick and comprehensive access to quantitative calculations in materials science. The authors address both newcomers as well as researchers who would like to become familiar with QMC in order to apply to their research. As such, they cover the basic theory required for applying the method, and describe how to transfer this knowledge into calculation. The book includes a series of problems of increasing difficulty with associated stand-alone programs which will be available for free download | ||
| 505 | 0 | |a A First Monte Carlo Example -- Variational Quantum Monte Carlo for a One-Electron System -- Two Electrons with Two Adiabatically Decoupled Nuclei: Hydrogen Molecule -- Three Electrons: Lithium Atom -- Many-Electron Confined Systems -- Many-Electron Atomic Aggregates: Lithium Cluster -- Infinite Number of Electrons: Lithium Solid -- Diffusion Quantum Monte Carlo (DQMC) | |
| 650 | 4 | |a Monte Carlo method | |
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| 689 | 0 | 2 | |a FORTRAN 95 |0 (DE-588)4423965-8 |D s |
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| 700 | 1 | |a Díez Muiño, Ricardo |d 1968- |e Verfasser |0 (DE-588)1033439355 |4 aut | |
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Datensatz im Suchindex
| _version_ | 1804152165174870016 |
|---|---|
| any_adam_object | |
| author | Schattke, Wolfgang Díez Muiño, Ricardo 1968- |
| author_GND | (DE-588)1033439355 |
| author_facet | Schattke, Wolfgang Díez Muiño, Ricardo 1968- |
| author_role | aut aut |
| author_sort | Schattke, Wolfgang |
| author_variant | w s ws m r d mr mrd |
| building | Verbundindex |
| bvnumber | BV041829525 |
| classification_rvk | SK 955 ST 630 UK 4000 UL 1000 VC 6100 VE 5650 |
| collection | ZDB-35-WIC |
| contents | A First Monte Carlo Example -- Variational Quantum Monte Carlo for a One-Electron System -- Two Electrons with Two Adiabatically Decoupled Nuclei: Hydrogen Molecule -- Three Electrons: Lithium Atom -- Many-Electron Confined Systems -- Many-Electron Atomic Aggregates: Lithium Cluster -- Infinite Number of Electrons: Lithium Solid -- Diffusion Quantum Monte Carlo (DQMC) |
| ctrlnum | (OCoLC)853364772 (DE-599)BVBBV041829525 |
| dewey-full | 518/.282 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 518 - Numerical analysis |
| dewey-raw | 518/.282 |
| dewey-search | 518/.282 |
| dewey-sort | 3518 3282 |
| dewey-tens | 510 - Mathematics |
| discipline | Chemie / Pharmazie Physik Informatik Mathematik |
| format | Electronic eBook |
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| id | DE-604.BV041829525 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T01:06:22Z |
| institution | BVB |
| isbn | 9783527675319 9783527675326 9783527675746 9783527676729 |
| language | English |
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| publisher | Wiley-VCH |
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| spelling | Schattke, Wolfgang Verfasser aut Quantum Monte Carlo programming for atoms, molecules, clusters, and solids Wolfgang Schattke and Ricardo Díez Muiño Weinheim Wiley-VCH 2013 1 Online-Ressource txt rdacontent c rdamedia cr rdacarrier Includes bibliographical references (p. 269-271) and index In one source, this textbook provides quick and comprehensive access to quantitative calculations in materials science. The authors address both newcomers as well as researchers who would like to become familiar with QMC in order to apply to their research. As such, they cover the basic theory required for applying the method, and describe how to transfer this knowledge into calculation. The book includes a series of problems of increasing difficulty with associated stand-alone programs which will be available for free download A First Monte Carlo Example -- Variational Quantum Monte Carlo for a One-Electron System -- Two Electrons with Two Adiabatically Decoupled Nuclei: Hydrogen Molecule -- Three Electrons: Lithium Atom -- Many-Electron Confined Systems -- Many-Electron Atomic Aggregates: Lithium Cluster -- Infinite Number of Electrons: Lithium Solid -- Diffusion Quantum Monte Carlo (DQMC) Monte Carlo method Elektronenzustand (DE-588)4263453-2 gnd rswk-swf FORTRAN 95 (DE-588)4423965-8 gnd rswk-swf Monte-Carlo-Simulation (DE-588)4240945-7 gnd rswk-swf Electronic books Elektronenzustand (DE-588)4263453-2 s Monte-Carlo-Simulation (DE-588)4240945-7 s FORTRAN 95 (DE-588)4423965-8 s DE-604 Díez Muiño, Ricardo 1968- Verfasser (DE-588)1033439355 aut Erscheint auch als Druckausgabe 978-3-527-40851-1 https://onlinelibrary.wiley.com/doi/book/10.1002/9783527676729 Verlag Volltext |
| spellingShingle | Schattke, Wolfgang Díez Muiño, Ricardo 1968- Quantum Monte Carlo programming for atoms, molecules, clusters, and solids A First Monte Carlo Example -- Variational Quantum Monte Carlo for a One-Electron System -- Two Electrons with Two Adiabatically Decoupled Nuclei: Hydrogen Molecule -- Three Electrons: Lithium Atom -- Many-Electron Confined Systems -- Many-Electron Atomic Aggregates: Lithium Cluster -- Infinite Number of Electrons: Lithium Solid -- Diffusion Quantum Monte Carlo (DQMC) Monte Carlo method Elektronenzustand (DE-588)4263453-2 gnd FORTRAN 95 (DE-588)4423965-8 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd |
| subject_GND | (DE-588)4263453-2 (DE-588)4423965-8 (DE-588)4240945-7 |
| title | Quantum Monte Carlo programming for atoms, molecules, clusters, and solids |
| title_auth | Quantum Monte Carlo programming for atoms, molecules, clusters, and solids |
| title_exact_search | Quantum Monte Carlo programming for atoms, molecules, clusters, and solids |
| title_full | Quantum Monte Carlo programming for atoms, molecules, clusters, and solids Wolfgang Schattke and Ricardo Díez Muiño |
| title_fullStr | Quantum Monte Carlo programming for atoms, molecules, clusters, and solids Wolfgang Schattke and Ricardo Díez Muiño |
| title_full_unstemmed | Quantum Monte Carlo programming for atoms, molecules, clusters, and solids Wolfgang Schattke and Ricardo Díez Muiño |
| title_short | Quantum Monte Carlo programming |
| title_sort | quantum monte carlo programming for atoms molecules clusters and solids |
| title_sub | for atoms, molecules, clusters, and solids |
| topic | Monte Carlo method Elektronenzustand (DE-588)4263453-2 gnd FORTRAN 95 (DE-588)4423965-8 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd |
| topic_facet | Monte Carlo method Elektronenzustand FORTRAN 95 Monte-Carlo-Simulation |
| url | https://onlinelibrary.wiley.com/doi/book/10.1002/9783527676729 |
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