| Edition |
1st ed. |
| Description |
1 online resource (volumes <1>) : illustrations |
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text txt rdacontent |
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computer c rdamedia |
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online resource cr rdacarrier |
| Series |
Theoretical and computational chemistry ; v. 11 |
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Theoretical and computational chemistry ; 11.
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| Summary |
The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area. No title is currently available that deals with new developments in relativistic quantum electronic structure theory Interesting and relevant to graduate students in chemistry and physics as well as to all researchers in the field of quantum chemistry As treatment of heavy elements becomes more important, there will be a constant demand for this title. |
| Contents |
Chapter 1. Tour Historique -- Chapter 2. The Dirac Operator -- Chapter 3. Relativistic Self-Consistent Fields -- Chapter 4. Nuclear Charge Density Distributions in Quantum Chemistry -- Chapter 5. Basis Sets for Relativistic Calculations -- Chapter 6. Post Dirac-Fock-Methods -- Electron Correlation -- Chapter 7. Post Dirac-Fock-Methods -- Properties -- Chapter 8. QED Theory of Atoms -- Chapter 9. Parity Violation -- Chapter 10. Relativistic Density Functional Theory: Foundations and Basic Formalism -- Chapter 11. Two-Component Methods and the Generalized Douglas-Kroll Transformation -- Chapter 12. Perturbation Theory of Relativistic Effects -- Chapter 13. Perturbation Theory Based on Quasi-Relativistic Hamiltonians -- Chapter 14. Relativistic Effective Core Potentials -- Chapter 15. Relativistic Solid State Theory. |
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pt. 1. Fundamentals. |
| Bibliography |
Includes bibliographical references and indexes. |
| Note |
Print version record. |
| Access |
Use copy Restrictions unspecified star MiAaHDL |
| Reproduction |
Electronic reproduction. [Place of publication not identified] : HathiTrust Digital Library, 2010. MiAaHDL |
| System Details |
Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002. http://purl.oclc.org/DLF/benchrepro0212 MiAaHDL |
| Processing Action |
digitized 2010 HathiTrust Digital Library committed to preserve pda MiAaHDL |
| Subject |
Quantum chemistry.
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Electronic structure.
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Relativistic quantum theory.
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Chimie quantique.
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Structure électronique.
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Théorie quantique relativiste.
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Electronic structure
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Quantum chemistry
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Relativistic quantum theory
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| Added Author |
Schwerdtfeger, Peter.
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| Other Form: |
Print version: Relativistic electronic structure theory. 1st ed. Amsterdam : Elsevier Science, 2002- 0444512497 9780444512499 (OCoLC)51985686 |
| ISBN |
9780444512499 |
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0444512497 |
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0080540465 (electronic bk.) |
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9780080540467 (electronic bk.) |
| Standard No. |
DEBBG BV039828707 |
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DEBBG BV042313928 |
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DEBSZ 36776945X |
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DEBSZ 482355476 |
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GBVCP 588451665 |
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NZ1 12433575 |
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NZ1 15188896 |
|
