國立虎尾科技大學 |

Many-Body Methods for Atoms, Molecules and Clusters

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Many-Body Methods for Atoms, Molecules and Clusters/ by Jochen Schirmer.
Author:	Schirmer, Jochen.
Description:	XII, 332 p. 53 illus., 2 illus. in color.online resource. :
Contained By:	Springer Nature eBook
Subject:	Chemistry, Physical and theoretical. -
Online resource:	https://doi.org/10.1007/978-3-319-93602-4
ISBN:	9783319936024

Many-Body Methods for Atoms, Molecules and Clusters
Schirmer, Jochen.

Many-Body Methods for Atoms, Molecules and Clusters[electronic resource] /by Jochen Schirmer. - 1st ed. 2018. - XII, 332 p. 53 illus., 2 illus. in color.online resource. - Lecture Notes in Chemistry,940342-4901 ;. - Lecture Notes in Chemistry,91.

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

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

557299
Chemistry, Physical and theoretical.

LC Class. No.: QD450-801

Dewey Class. No.: 541.2

Many-Body Methods for Atoms, Molecules and Clusters
LDR:03749nam a22004095i 4500 001 991181
003 DE-He213
005 20200707025207.0
007 cr nn 008mamaa
008 201225s2018 gw | s |||| 0|eng d
020 $a 9783319936024 $9 978-3-319-93602-4
024 7 $a 10.1007/978-3-319-93602-4 $2 doi
035 $a 978-3-319-93602-4
050 4 $a QD450-801
072 7 $a PNRP $2 bicssc
072 7 $a SCI013050 $2 bisacsh
072 7 $a PNRP $2 thema
082 0 4 $a 541.2 $2 23
100 1 $a Schirmer, Jochen. $4 aut $4 http://id.loc.gov/vocabulary/relators/aut $3 1210180
245 1 0 $a Many-Body Methods for Atoms, Molecules and Clusters $h [electronic resource] / $c by Jochen Schirmer.
250 $a 1st ed. 2018.
264 1 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2018.
300 $a XII, 332 p. 53 illus., 2 illus. in color. $b online resource.
336 $a text $b txt $2 rdacontent
337 $a computer $b c $2 rdamedia
338 $a online resource $b cr $2 rdacarrier
347 $a text file $b PDF $2 rda
490 1 $a Lecture Notes in Chemistry, $x 0342-4901 ; $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 Chemistry, Physical and theoretical. $3 557299
650 0 $a Mathematical physics. $3 527831
650 0 $a Chemometrics. $3 784357
650 0 $a Atomic structure . $3 1253596
650 0 $a Molecular structure . $3 1253597
650 0 $a Physical chemistry. $3 1148725
650 1 4 $a Theoretical and Computational Chemistry. $3 670313
650 2 4 $a Theoretical, Mathematical and Computational Physics. $3 768900
650 2 4 $a Math. Applications in Chemistry. $3 673515
650 2 4 $a Mathematical Applications in the Physical Sciences. $3 786649
650 2 4 $a Atomic/Molecular Structure and Spectra. $3 783942
650 2 4 $a Physical Chemistry. $3 668972
710 2 $a SpringerLink (Online service) $3 593884
773 0 $t Springer Nature eBook
776 0 8 $i Printed edition: $z 9783319936017
776 0 8 $i Printed edition: $z 9783319936031
776 0 8 $i Printed edition: $z 9783030066918
830 0 $a Lecture Notes in Chemistry, $x 0342-4901 ; $v 91 $3 1258671
856 4 0 $u https://doi.org/10.1007/978-3-319-93602-4
912 $a ZDB-2-CMS
912 $a ZDB-2-SXC
950 $a Chemistry and Materials Science (SpringerNature-11644)
950 $a Chemistry and Material Science (R0) (SpringerNature-43709)