國立高雄大學圖資館 |

Language: English

Back

Many-body methods for atoms, molecul...

Schirmer, Jochen.

Many-body methods for atoms, molecules and clusters

Record Type:	Electronic resources : Monograph/item
Title/Author:	Many-body methods for atoms, molecules and clustersby Jochen Schirmer.
Author:	Schirmer, Jochen.
Published:	Cham :Springer International Publishing :2018.
Description:	xii, 332 p. :ill., digital ;24 cm.
Contained By:	Springer eBooks
Subject:	Many-body problem.
Online resource:	https://doi.org/10.1007/978-3-319-93602-4
ISBN:	9783319936024$q(electronic bk.)

Many-body methods for atoms, molecules and clusters
Schirmer, Jochen.

Many-body methods for atoms, molecules and clusters[electronic resource] /by Jochen Schirmer. - Cham :Springer International Publishing :2018. - xii, 332 p. :ill., digital ;24 cm. - Lecture notes in chemistry,v.940342-4901 ;. - Lecture notes in chemistry ;v.78..

Part I Many-Electron Systems and the Electron Propagator -- Systems of identical particles -- Second quantization -- One-particle Green's function -- Part II Formalism of Diagrammatic Perturbation Theory -- Perturbation theory for the electron propagator -- Introducing diagrams -- Feynman diagrams -- Time-ordered or Goldstone diagrams -- Part III Approximation and Computational Schemes -- Self-energy and the Dyson equation -- Algebraic-diagrammatic construction (ADC) -- Direct ADC procedure for the electron propagator -- Intermediate-state representation (ISR) -- Order relations and separability -- Part IV N-Electronic excitations -- Polarization propagator -- ADC and ISR approaches to the polarization propagator -- Random-phase approximation (RPA) -- Part V. A look at related methods -- Algebraic propagator methods -- Coupled-cluster methods for generalized excitations -- Appendix.

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.

ISBN: 9783319936024$q(electronic bk.)

Standard No.: 10.1007/978-3-319-93602-4doiSubjects--Topical Terms:

207887
Many-body problem.

LC Class. No.: QC174.17.P7 / S357 2018

Dewey Class. No.: 530.144

Many-body methods for atoms, molecules and clusters
LDR:03364nmm a2200337 a 4500 001 545560
003 DE-He213
005 20190321165012.0
006 m d
007 cr nn 008maaau
008 190530s2018 gw s 0 eng d
020 $a 9783319936024$q(electronic bk.)
020 $a 9783319936017$q(paper)
024 7 $a 10.1007/978-3-319-93602-4 $2 doi
035 $a 978-3-319-93602-4
040 $a GP $c GP
041 0 $a eng
050 4 $a QC174.17.P7 $b S357 2018
072 7 $a PNRP $2 bicssc
072 7 $a SCI013050 $2 bisacsh
072 7 $a PNRP $2 thema
082 0 4 $a 530.144 $2 23
090 $a QC174.17.P7 $b S337 2018
100 1 $a Schirmer, Jochen. $3 824552
245 1 0 $a Many-body methods for atoms, molecules and clusters $h [electronic resource] / $c by Jochen Schirmer.
260 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2018.
300 $a xii, 332 p. : $b ill., digital ; $c 24 cm.
490 1 $a Lecture notes in chemistry, $x 0342-4901 ; $v v.94
505 0 $a Part I Many-Electron Systems and the Electron Propagator -- Systems of identical particles -- Second quantization -- One-particle Green's function -- Part II Formalism of Diagrammatic Perturbation Theory -- Perturbation theory for the electron propagator -- Introducing diagrams -- Feynman diagrams -- Time-ordered or Goldstone diagrams -- Part III Approximation and Computational Schemes -- Self-energy and the Dyson equation -- Algebraic-diagrammatic construction (ADC) -- Direct ADC procedure for the electron propagator -- Intermediate-state representation (ISR) -- Order relations and separability -- Part IV N-Electronic excitations -- Polarization propagator -- ADC and ISR approaches to the polarization propagator -- Random-phase approximation (RPA) -- Part V. A look at related methods -- Algebraic propagator methods -- Coupled-cluster methods for generalized excitations -- Appendix.
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.
650 0 $a Many-body problem. $3 207887
650 0 $a Quantum chemistry. $3 194339
650 1 4 $a Theoretical and Computational Chemistry. $3 273882
650 2 4 $a Theoretical, Mathematical and Computational Physics. $3 376743
650 2 4 $a Math. Applications in Chemistry. $3 274138
650 2 4 $a Mathematical Applications in the Physical Sciences. $3 522718
650 2 4 $a Atomic/Molecular Structure and Spectra. $3 455686
650 2 4 $a Physical Chemistry. $3 273698
710 2 $a SpringerLink (Online service) $3 273601
773 0 $t Springer eBooks
830 0 $a Lecture notes in chemistry ; $v v.78. $3 557976
856 4 0 $u https://doi.org/10.1007/978-3-319-93602-4
950 $a Chemistry and Materials Science (Springer-11644)