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1076230507 |
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|a Schirmer, Jochen,
|e author.
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|a Many-body methods for atoms, molecules and clusters /
|c Jochen Schirmer.
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|a Cham, Switzerland :
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|a Lecture notes in chemistry,
|x 0342-4901 ;
|v volume 94.
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|a Includes bibliographical references and index.
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|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.
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|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.
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|d Cham, Switzerland : Springer, [2018]
|z 3319936018
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|v 94.
|x 0342-4901.
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8 |
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|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-(}); 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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