Modern electronic structure theory.: Part II /
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in com...
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore :
World Scientific,
1995.
|
| Schriftenreihe: | Advanced series in physical chemistry ;
v. 2. |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Zusammenfassung: | Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field. |
| Beschreibung: | 1 online resource. |
| Bibliographie: | Includes bibliographical references and index. |
| ISBN: | 9789812832115 9812832114 1299633250 9781299633254 |
Internformat
MARC
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| 245 | 0 | 0 | |a Modern electronic structure theory. |n Part II / |c editor, David R. Yarkony. |
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| 520 | |a Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field. | ||
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Datensatz im Suchindex
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| contents | 12. Gaussian basis sets and molecular integrals / Trygve Helgaker and Peter R. Taylor -- 13. Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions / Jeppe Olsen and Poul Jørgensen -- 14. Evaluation of bond energies to chemical accuracy by quantum chemical techniques / Krishnan Raghavachari and Larry A. Curtiss -- 15. Exchange-correlation approximations in density-functional theory / Axel D. Becke -- 16. Coupled-cluster theory: an overview of recent developments / Rodney J. Bartlett -- 17. Pseudospectral methods applied to the electron correlation problem / Todd J. Martinez and Emily A. Carter -- 18. Quasidegenerate perturbation theory using effective Hamiltonians / Mark R. Hoffmann -- 19. Analytical derivative techniques and the calculation of vibrational spectra / Peter Pulay -- 20. Applications of molecular structure methods to problems in astrochemistry / Kate P. Kirby -- 21. The application of ab initio electronic structure calculations to molecules containing transition metal atoms / Charles W. Bauschlicher, Jr., Stephen R. Langhoff and Harry Partridge -- 22. Studies of electron-molecule collisions on massively parallel computers / Carl Winstead and Vincent McKoy. |
| ctrlnum | (OCoLC)847135955 |
| dewey-full | 541.28 |
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| discipline | Chemie / Pharmazie |
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| id | ZDB-4-EBA-ocn847135955 |
| illustrated | Not Illustrated |
| indexdate | 2024-11-27T13:25:23Z |
| institution | BVB |
| isbn | 9789812832115 9812832114 1299633250 9781299633254 |
| language | English |
| oclc_num | 847135955 |
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| physical | 1 online resource. |
| psigel | ZDB-4-EBA |
| publishDate | 1995 |
| publishDateSearch | 1995 |
| publishDateSort | 1995 |
| publisher | World Scientific, |
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| series | Advanced series in physical chemistry ; |
| series2 | Advanced series in physical chemistry ; |
| spelling | Modern electronic structure theory. Part II / editor, David R. Yarkony. Singapore : World Scientific, 1995. 1 online resource. text txt rdacontent computer c rdamedia online resource cr rdacarrier Advanced series in physical chemistry ; v. 2 Includes bibliographical references and index. Print version record. 12. Gaussian basis sets and molecular integrals / Trygve Helgaker and Peter R. Taylor -- 13. Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions / Jeppe Olsen and Poul Jørgensen -- 14. Evaluation of bond energies to chemical accuracy by quantum chemical techniques / Krishnan Raghavachari and Larry A. Curtiss -- 15. Exchange-correlation approximations in density-functional theory / Axel D. Becke -- 16. Coupled-cluster theory: an overview of recent developments / Rodney J. Bartlett -- 17. Pseudospectral methods applied to the electron correlation problem / Todd J. Martinez and Emily A. Carter -- 18. Quasidegenerate perturbation theory using effective Hamiltonians / Mark R. Hoffmann -- 19. Analytical derivative techniques and the calculation of vibrational spectra / Peter Pulay -- 20. Applications of molecular structure methods to problems in astrochemistry / Kate P. Kirby -- 21. The application of ab initio electronic structure calculations to molecules containing transition metal atoms / Charles W. Bauschlicher, Jr., Stephen R. Langhoff and Harry Partridge -- 22. Studies of electron-molecule collisions on massively parallel computers / Carl Winstead and Vincent McKoy. Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field. Atomic theory. http://id.loc.gov/authorities/subjects/sh85009323 Théorie atomique. SCIENCE Chemistry Physical & Theoretical. bisacsh Atomic theory fast Yarkony, David. https://id.oclc.org/worldcat/entity/E39PBJgt6YhyDqMMB7VbbJYQMP http://id.loc.gov/authorities/names/n86801792 has work: Modern electronic structure theory Part II (Text) https://id.oclc.org/worldcat/entity/E39PCGrKV77GXdjD9gJWPXFYfq https://id.oclc.org/worldcat/ontology/hasWork Print version: YARKONY, DAVID R. MODERN ELECTRONIC STRUCTURE THEORY (IN 2 PARTS) - PART 2. World Scientific 1995 1299633250 Advanced series in physical chemistry ; v. 2. http://id.loc.gov/authorities/names/n93112867 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=565648 Volltext |
| spellingShingle | Modern electronic structure theory. Advanced series in physical chemistry ; 12. Gaussian basis sets and molecular integrals / Trygve Helgaker and Peter R. Taylor -- 13. Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions / Jeppe Olsen and Poul Jørgensen -- 14. Evaluation of bond energies to chemical accuracy by quantum chemical techniques / Krishnan Raghavachari and Larry A. Curtiss -- 15. Exchange-correlation approximations in density-functional theory / Axel D. Becke -- 16. Coupled-cluster theory: an overview of recent developments / Rodney J. Bartlett -- 17. Pseudospectral methods applied to the electron correlation problem / Todd J. Martinez and Emily A. Carter -- 18. Quasidegenerate perturbation theory using effective Hamiltonians / Mark R. Hoffmann -- 19. Analytical derivative techniques and the calculation of vibrational spectra / Peter Pulay -- 20. Applications of molecular structure methods to problems in astrochemistry / Kate P. Kirby -- 21. The application of ab initio electronic structure calculations to molecules containing transition metal atoms / Charles W. Bauschlicher, Jr., Stephen R. Langhoff and Harry Partridge -- 22. Studies of electron-molecule collisions on massively parallel computers / Carl Winstead and Vincent McKoy. Atomic theory. http://id.loc.gov/authorities/subjects/sh85009323 Théorie atomique. SCIENCE Chemistry Physical & Theoretical. bisacsh Atomic theory fast |
| subject_GND | http://id.loc.gov/authorities/subjects/sh85009323 |
| title | Modern electronic structure theory. |
| title_auth | Modern electronic structure theory. |
| title_exact_search | Modern electronic structure theory. |
| title_full | Modern electronic structure theory. Part II / editor, David R. Yarkony. |
| title_fullStr | Modern electronic structure theory. Part II / editor, David R. Yarkony. |
| title_full_unstemmed | Modern electronic structure theory. Part II / editor, David R. Yarkony. |
| title_short | Modern electronic structure theory. |
| title_sort | modern electronic structure theory |
| topic | Atomic theory. http://id.loc.gov/authorities/subjects/sh85009323 Théorie atomique. SCIENCE Chemistry Physical & Theoretical. bisacsh Atomic theory fast |
| topic_facet | Atomic theory. Théorie atomique. SCIENCE Chemistry Physical & Theoretical. Atomic theory |
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