Description

Book Synopsis

Brings Readers from the Threshold to the Frontier of Modern Research

Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts.

The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then i

Table of Contents

Introduction. Occupation Number Representation. Perturbation Theory. Multi-Reference Perturbation Theory. State-Specific Perturbation Theory. Coupled Cluster Method. Fock Space Multi-Reference Coupled Cluster Method. Hilbert Space Coupled Cluster Theory.

ManyBody Methods for Atoms and Molecules

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    A Hardback by Rajat Kumar Chaudhuri, Sudip Kumar Chattopadhyay

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      Book details

      Publisher CRC Press Inc
      Published 26 October 2016
      ISBN-13 9781482211900
      978-1482211900
      ISBN-10 1482211904
      Also in:
      Physical chemistry

      Description

      Book Synopsis

      Brings Readers from the Threshold to the Frontier of Modern Research

      Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts.

      The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then i

      Table of Contents

      Introduction. Occupation Number Representation. Perturbation Theory. Multi-Reference Perturbation Theory. State-Specific Perturbation Theory. Coupled Cluster Method. Fock Space Multi-Reference Coupled Cluster Method. Hilbert Space Coupled Cluster Theory.

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