Many-body methods for atoms, molecules and clusters /
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| Author / Creator: | Schirmer, Jochen, author. |
|---|---|
| Imprint: | Cham, Switzerland : Springer, [2018] |
| Description: | 1 online resource (xii, 332 pages) |
| Language: | English |
| Series: | Lecture notes in chemistry, 0342-4901 ; volume 94 Lecture notes in chemistry ; 94. |
| Subject: | |
| Format: | E-Resource Book |
| URL for this record: | http://pi.lib.uchicago.edu/1001/cat/bib/11737595 |
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| 100 | 1 | |a Schirmer, Jochen, |e author. | |
| 245 | 1 | 0 | |a Many-body methods for atoms, molecules and clusters / |c Jochen Schirmer. |
| 264 | 1 | |a Cham, Switzerland : |b Springer, |c [2018] | |
| 300 | |a 1 online resource (xii, 332 pages) | ||
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| 490 | 1 | |a Lecture notes in chemistry, |x 0342-4901 ; |v volume 94 | |
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a Many-electron systems and the electron propagator -- Formalism of diagrammatic perturbation theory -- Approximations and computational schemes -- N-electron excitations -- A look at related models. | |
| 520 | |a This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules. Starting with a general introduction to the atomic and molecular many-electron problem, the book then develops a stringent formalism of field-theoretical many-body theory, culminating in the diagrammatic perturbation expansions of many-body Green's functions or propagators in terms of Feynman diagrams. It also introduces and analyzes practical computational methods, such as the field-tested algebraic-diagrammatic construction (ADC) schemes. The ADC concept can also be established via a wave-function based procedure, referred to as intermediate state representation (ISR), which bridges the gap between propagator and wave-function formulations. Based on the current rapid increase in computer power and the development of efficient computational methods, quantum chemistry has emerged as a potent theoretical tool for treating ever-larger molecules and problems of chemical and physical interest. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry. | ||
| 588 | 0 | |a Online resource; title from digital title page (viewed on January 10, 2019). | |
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| 776 | 0 | 8 | |i Print version: |a Schirmer, Jochen. |t Many-body methods for atoms, molecules and clusters. |d Cham, Switzerland : Springer, [2018] |z 3319936018 |z 9783319936017 |w (OCoLC)1035507109 |
| 830 | 0 | |a Lecture notes in chemistry ; |v 94. |x 0342-4901 |0 http://id.loc.gov/authorities/names/n42015161 | |
| 880 | 8 | |6 505-00/(S |a 9.2 Dyson-ADC Secular EquationsReferences; 10 Direct ADC Procedure for the Electron Propagator; 10.1 ADC Representation of G-(ω); 10.2 Explicit ADC Procedure Through Second Order; 10.3 Properties of the non-Dyson ADC Schemes; References; 11 Intermediate-State Representation (ISR); 11.1 Correlated Excited States and Excitation Class Orthogonalization; 11.2 Explicit ISR Procedure Through Second Order; 11.3 Intermediate-State Representation of General Operators; References; 12 Order Relations and Separability; 12.1 Canonical Order Relations; 12.2 Separability of the ISR-ADC Secular Matrix | |
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| 928 | |t Library of Congress classification |a QC174.17.P7 S35 2018 |l Online |c UC-FullText |u https://link.springer.com/10.1007/978-3-319-93602-4 |z Springer Nature |g ebooks |i 12558396 | ||