Electronic structure calculations for solids and molecules :: theory and computational methods /
This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part d...
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Cambridge :
Cambridge University Press,
2006.
|
| Schriftenreihe: | Condensed matter physics, nanoscience and mesoscopic physics.
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Zusammenfassung: | This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods. |
| Beschreibung: | 1 online resource (xxii, 348 pages) : illustrations |
| Bibliographie: | Includes bibliographical references and index. |
| ISBN: | 9780511648311 0511648316 0511190875 9780511190872 0511190557 9780511190551 0511189915 9780511189913 9780511755613 0511755619 051156175X 9780511561757 |
Internformat
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| 245 | 1 | 0 | |a Electronic structure calculations for solids and molecules : |b theory and computational methods / |c Jorge Kohanoff. |
| 260 | |a Cambridge : |b Cambridge University Press, |c 2006. | ||
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| 504 | |a Includes bibliographical references and index. | ||
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| 520 | |a This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods. | ||
| 588 | 0 | |a Print version record. | |
| 650 | 0 | |a Hartree-Fock approximation. |0 http://id.loc.gov/authorities/subjects/sh85059120 | |
| 650 | 0 | |a Density functionals. |0 http://id.loc.gov/authorities/subjects/sh85036851 | |
| 650 | 0 | |a Condensed matter |x Computer simulation. | |
| 650 | 6 | |a Fonctionnelles densité. | |
| 650 | 6 | |a Méthode d'approximation Hartree-Fock. | |
| 650 | 6 | |a Matière condensée |x Simulation par ordinateur. | |
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| 650 | 7 | |a Density functionals |2 fast | |
| 650 | 7 | |a Hartree-Fock approximation |2 fast | |
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| author | Kohanoff, Jorge José |
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| contents | Theory -- The problem of the structure of matter -- The electronic problem -- Quantum many-body theory : chemical approaches -- Density functional theory -- Exchange and correlation in DFT : approximations and their performances -- Computational methods -- Solving the electronic problem in practice -- Atomic pseudopotentials -- Basis sets -- Electronic structure methods -- Simplified approaches to the electronic problem -- Diagonalization and electronic self-consistency -- First-principles molecular dynamics (Car-Parrinello). |
| ctrlnum | (OCoLC)568717220 |
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| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.22 |
| dewey-search | 541.22 |
| dewey-sort | 3541.22 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Electronic eBook |
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| genre | Electronic books. |
| genre_facet | Electronic books. |
| id | ZDB-4-EBA-ocn568717220 |
| illustrated | Illustrated |
| indexdate | 2024-11-27T13:17:02Z |
| institution | BVB |
| isbn | 9780511648311 0511648316 0511190875 9780511190872 0511190557 9780511190551 0511189915 9780511189913 9780511755613 0511755619 051156175X 9780511561757 |
| language | English |
| oclc_num | 568717220 |
| open_access_boolean | |
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| physical | 1 online resource (xxii, 348 pages) : illustrations |
| psigel | ZDB-4-EBA |
| publishDate | 2006 |
| publishDateSearch | 2006 |
| publishDateSort | 2006 |
| publisher | Cambridge University Press, |
| record_format | marc |
| series | Condensed matter physics, nanoscience and mesoscopic physics. |
| series2 | Condensed matter physics, nanoscience and mesoscopic physics |
| spelling | Kohanoff, Jorge José. http://id.loc.gov/authorities/names/no2006104000 Electronic structure calculations for solids and molecules : theory and computational methods / Jorge Kohanoff. Cambridge : Cambridge University Press, 2006. 1 online resource (xxii, 348 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier Condensed matter physics, nanoscience and mesoscopic physics Includes bibliographical references and index. Theory -- The problem of the structure of matter -- The electronic problem -- Quantum many-body theory : chemical approaches -- Density functional theory -- Exchange and correlation in DFT : approximations and their performances -- Computational methods -- Solving the electronic problem in practice -- Atomic pseudopotentials -- Basis sets -- Electronic structure methods -- Simplified approaches to the electronic problem -- Diagonalization and electronic self-consistency -- First-principles molecular dynamics (Car-Parrinello). This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods. Print version record. Hartree-Fock approximation. http://id.loc.gov/authorities/subjects/sh85059120 Density functionals. http://id.loc.gov/authorities/subjects/sh85036851 Condensed matter Computer simulation. Fonctionnelles densité. Méthode d'approximation Hartree-Fock. Matière condensée Simulation par ordinateur. SCIENCE Chemistry Physical & Theoretical. bisacsh Condensed matter Computer simulation fast Density functionals fast Hartree-Fock approximation fast Electronic books. has work: Electronic structure calculations for solids and molecules (Text) https://id.oclc.org/worldcat/entity/E39PCFyfBvkGHRbY9jT7JpRf4m https://id.oclc.org/worldcat/ontology/hasWork Print version: Kohanoff, Jorge José. Electronic structure calculations for solids and molecules. Cambridge : Cambridge University Press, 2006 9780521815918 (DLC) 2006298774 (OCoLC)63186207 Condensed matter physics, nanoscience and mesoscopic physics. FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=304490 Volltext ProductForm=DG onix |
| spellingShingle | Kohanoff, Jorge José Electronic structure calculations for solids and molecules : theory and computational methods / Condensed matter physics, nanoscience and mesoscopic physics. Theory -- The problem of the structure of matter -- The electronic problem -- Quantum many-body theory : chemical approaches -- Density functional theory -- Exchange and correlation in DFT : approximations and their performances -- Computational methods -- Solving the electronic problem in practice -- Atomic pseudopotentials -- Basis sets -- Electronic structure methods -- Simplified approaches to the electronic problem -- Diagonalization and electronic self-consistency -- First-principles molecular dynamics (Car-Parrinello). Hartree-Fock approximation. http://id.loc.gov/authorities/subjects/sh85059120 Density functionals. http://id.loc.gov/authorities/subjects/sh85036851 Condensed matter Computer simulation. Fonctionnelles densité. Méthode d'approximation Hartree-Fock. Matière condensée Simulation par ordinateur. SCIENCE Chemistry Physical & Theoretical. bisacsh Condensed matter Computer simulation fast Density functionals fast Hartree-Fock approximation fast |
| subject_GND | http://id.loc.gov/authorities/subjects/sh85059120 http://id.loc.gov/authorities/subjects/sh85036851 |
| title | Electronic structure calculations for solids and molecules : theory and computational methods / |
| title_auth | Electronic structure calculations for solids and molecules : theory and computational methods / |
| title_exact_search | Electronic structure calculations for solids and molecules : theory and computational methods / |
| title_full | Electronic structure calculations for solids and molecules : theory and computational methods / Jorge Kohanoff. |
| title_fullStr | Electronic structure calculations for solids and molecules : theory and computational methods / Jorge Kohanoff. |
| title_full_unstemmed | Electronic structure calculations for solids and molecules : theory and computational methods / Jorge Kohanoff. |
| title_short | Electronic structure calculations for solids and molecules : |
| title_sort | electronic structure calculations for solids and molecules theory and computational methods |
| title_sub | theory and computational methods / |
| topic | Hartree-Fock approximation. http://id.loc.gov/authorities/subjects/sh85059120 Density functionals. http://id.loc.gov/authorities/subjects/sh85036851 Condensed matter Computer simulation. Fonctionnelles densité. Méthode d'approximation Hartree-Fock. Matière condensée Simulation par ordinateur. SCIENCE Chemistry Physical & Theoretical. bisacsh Condensed matter Computer simulation fast Density functionals fast Hartree-Fock approximation fast |
| topic_facet | Hartree-Fock approximation. Density functionals. Condensed matter Computer simulation. Fonctionnelles densité. Méthode d'approximation Hartree-Fock. Matière condensée Simulation par ordinateur. SCIENCE Chemistry Physical & Theoretical. Condensed matter Computer simulation Density functionals Hartree-Fock approximation Electronic books. |
| url | https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=304490 |
| work_keys_str_mv | AT kohanoffjorgejose electronicstructurecalculationsforsolidsandmoleculestheoryandcomputationalmethods |