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  • 1
    Online Resource
    Online Resource
    Cham :Springer International Publishing :
    UID:
    edoccha_9961161271702883
    Format: 1 online resource (XVIII, 432 p. 27 illus., 21 illus. in color.)
    Edition: 1st ed. 2023.
    ISBN: 3-031-30218-4
    Content: This textbook forms the basis for an advanced undergraduate or graduate level quantum chemistry course, and can also serve as a reference for researchers in physical chemistry and chemical physics. In addition to the standard core topics such as principles of quantum mechanics, vibrational and rotational states, hydrogen-like molecules, perturbation theory, variational principles, and molecular orbital theories, this book also covers essential theories of electronic structure calculation, the primary methods for calculating quantum dynamics, and major spectroscopic techniques for quantum measurement. Plus, topics that are overlooked in conventional textbooks such as path integral formulation, open system quantum dynamics methods, and Green’s function approaches are addressed. This book helps readers grasp the essential quantum mechanical principles and results that serve as the foundation of modern chemistry and become knowledgeable in major methods of computational chemistry and spectroscopic experiments being conducted by present-day researchers. Dirac notation is used throughout, and right balance between comprehensiveness, rigor, and readability is achieved, ensuring that the book remains accessible while providing all the relevant details. Complete with exercises, this book is ideal for a course on quantum chemistry or as a self-study resource.
    Note: Chapter1: Concepts and Assumptions of Quantum Mechanics -- Chapter2: Dirac Notation and Principles of Quantum Mechanics -- Chapter3: Harmonic Oscillator and Vibrational Spectroscopy -- Chapter4: Multidimensional Systems and Separation of Variables -- Chapter5: Rotational States and Spectroscopy -- Chapter6: Hydrogen-like Systems and Spin Orbit States of an Electron -- Chapter7: Approximation Methods for Time Independent Schrödinger Equation -- Chapter8: Many Electron Systems and Atomic Spectroscopy -- Chapter9: Polyatomic Molecules and Molecular Spectroscopy -- Chapter10: Quantum Dynamics of Pure and Mixed States -- Chapter11: Theories for Electronic Structure Calculation of Polyatomic Molecules -- Chapter12: Special Topics.
    Additional Edition: ISBN 9783031302176
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Online Resource
    Online Resource
    Amsterdam, The Netherlands ; : Elsevier,
    UID:
    almahu_9949697570802882
    Format: 1 online resource (xv, 226 pages) : , illustrations
    ISBN: 0-08-102336-7
    Content: "Dynamics of Molecular Excitons provides a comprehensive, but concise description of major theories on the dynamics of molecular excitons, intended to serve as a self-contained resource on the topic. Designed to help those new to this area gain proficiency in this field, experts will also find the book useful in developing a deeper understanding of the subject. The starting point of the book is the standard microscopic definition of molecular Hamiltonians presented in commonly accepted modern quantum mechanical notations. Major assumptions and approximations involved in constructing Frenkel-type exciton Hamiltonians, which are well established, but are often hidden under arcane notations and approximations of old publications, are presented in detail. This will help quantum chemists understand the major assumptions involved in the definition of commonly used exciton models. Rate theories of exciton dynamics, such as Förster and Dexter theories and their modern generalizations, are presented in a unified and detailed manner. In addition, important aspects that are often neglected, such as local field effect and the role of fluctuating environments, are discussed. Various quantum dynamics methods allowing coherent dynamics of excitons are presented in a systematic manner in the context of quantum master equations or path integral formalisms. The author also provides a detailed theoretical explanation for the major spectroscopic techniques probing exciton dynamics, including modern two-dimensional electronic spectroscopy, with a critical assessment of the implications of these spectroscopic measurements. Finally, the book includes a brief overview of major applications including an explanation of organic photovoltaic materials and natural light harvesting complexes. Covers major theories of exciton dynamics in a consciously concise and easily readable way Bridges the gap between quantum dynamics working with phenomenological exciton Hamiltonian and quantum chemistry construct reliable models amenable for dynamics calculations from ab initio calculations Explores modern nonlinear electronic spectroscopy techniques to probe exciton dynamics, showing how it is applied"--
    Note: Introduction -- Microscopic derivation of Frenkel exciton-bath Hamiltonian -- Linear spectroscopy of molecular excitons -- Exciton transfer rates and hopping dynamics -- Quantum dynamics of molecular excitons -- Excitons and quantum light -- Time-resolved nonlinear spectroscopy of excitons -- Examples and applications -- Summary and outlook
    Additional Edition: ISBN 0-08-102335-9
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
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  • 3
    Online Resource
    Online Resource
    Amsterdam, The Netherlands ; : Elsevier,
    UID:
    edoccha_9960074234802883
    Format: 1 online resource (xv, 226 pages) : , illustrations
    ISBN: 0-08-102336-7
    Content: "Dynamics of Molecular Excitons provides a comprehensive, but concise description of major theories on the dynamics of molecular excitons, intended to serve as a self-contained resource on the topic. Designed to help those new to this area gain proficiency in this field, experts will also find the book useful in developing a deeper understanding of the subject. The starting point of the book is the standard microscopic definition of molecular Hamiltonians presented in commonly accepted modern quantum mechanical notations. Major assumptions and approximations involved in constructing Frenkel-type exciton Hamiltonians, which are well established, but are often hidden under arcane notations and approximations of old publications, are presented in detail. This will help quantum chemists understand the major assumptions involved in the definition of commonly used exciton models. Rate theories of exciton dynamics, such as Förster and Dexter theories and their modern generalizations, are presented in a unified and detailed manner. In addition, important aspects that are often neglected, such as local field effect and the role of fluctuating environments, are discussed. Various quantum dynamics methods allowing coherent dynamics of excitons are presented in a systematic manner in the context of quantum master equations or path integral formalisms. The author also provides a detailed theoretical explanation for the major spectroscopic techniques probing exciton dynamics, including modern two-dimensional electronic spectroscopy, with a critical assessment of the implications of these spectroscopic measurements. Finally, the book includes a brief overview of major applications including an explanation of organic photovoltaic materials and natural light harvesting complexes. Covers major theories of exciton dynamics in a consciously concise and easily readable way Bridges the gap between quantum dynamics working with phenomenological exciton Hamiltonian and quantum chemistry construct reliable models amenable for dynamics calculations from ab initio calculations Explores modern nonlinear electronic spectroscopy techniques to probe exciton dynamics, showing how it is applied"--
    Note: Introduction -- Microscopic derivation of Frenkel exciton-bath Hamiltonian -- Linear spectroscopy of molecular excitons -- Exciton transfer rates and hopping dynamics -- Quantum dynamics of molecular excitons -- Excitons and quantum light -- Time-resolved nonlinear spectroscopy of excitons -- Examples and applications -- Summary and outlook
    Additional Edition: ISBN 0-08-102335-9
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
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  • 4
    Online Resource
    Online Resource
    Amsterdam, The Netherlands ; : Elsevier,
    UID:
    edocfu_9960074234802883
    Format: 1 online resource (xv, 226 pages) : , illustrations
    ISBN: 0-08-102336-7
    Content: "Dynamics of Molecular Excitons provides a comprehensive, but concise description of major theories on the dynamics of molecular excitons, intended to serve as a self-contained resource on the topic. Designed to help those new to this area gain proficiency in this field, experts will also find the book useful in developing a deeper understanding of the subject. The starting point of the book is the standard microscopic definition of molecular Hamiltonians presented in commonly accepted modern quantum mechanical notations. Major assumptions and approximations involved in constructing Frenkel-type exciton Hamiltonians, which are well established, but are often hidden under arcane notations and approximations of old publications, are presented in detail. This will help quantum chemists understand the major assumptions involved in the definition of commonly used exciton models. Rate theories of exciton dynamics, such as Förster and Dexter theories and their modern generalizations, are presented in a unified and detailed manner. In addition, important aspects that are often neglected, such as local field effect and the role of fluctuating environments, are discussed. Various quantum dynamics methods allowing coherent dynamics of excitons are presented in a systematic manner in the context of quantum master equations or path integral formalisms. The author also provides a detailed theoretical explanation for the major spectroscopic techniques probing exciton dynamics, including modern two-dimensional electronic spectroscopy, with a critical assessment of the implications of these spectroscopic measurements. Finally, the book includes a brief overview of major applications including an explanation of organic photovoltaic materials and natural light harvesting complexes. Covers major theories of exciton dynamics in a consciously concise and easily readable way Bridges the gap between quantum dynamics working with phenomenological exciton Hamiltonian and quantum chemistry construct reliable models amenable for dynamics calculations from ab initio calculations Explores modern nonlinear electronic spectroscopy techniques to probe exciton dynamics, showing how it is applied"--
    Note: Introduction -- Microscopic derivation of Frenkel exciton-bath Hamiltonian -- Linear spectroscopy of molecular excitons -- Exciton transfer rates and hopping dynamics -- Quantum dynamics of molecular excitons -- Excitons and quantum light -- Time-resolved nonlinear spectroscopy of excitons -- Examples and applications -- Summary and outlook
    Additional Edition: ISBN 0-08-102335-9
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 5
    Online Resource
    Online Resource
    Cham :Springer International Publishing :
    UID:
    almahu_9949519958902882
    Format: XVIII, 432 p. 27 illus., 21 illus. in color. , online resource.
    Edition: 1st ed. 2023.
    ISBN: 9783031302183
    Content: This textbook forms the basis for an advanced undergraduate or graduate level quantum chemistry course, and can also serve as a reference for researchers in physical chemistry and chemical physics. In addition to the standard core topics such as principles of quantum mechanics, vibrational and rotational states, hydrogen-like molecules, perturbation theory, variational principles, and molecular orbital theories, this book also covers essential theories of electronic structure calculation, the primary methods for calculating quantum dynamics, and major spectroscopic techniques for quantum measurement. Plus, topics that are overlooked in conventional textbooks such as path integral formulation, open system quantum dynamics methods, and Green's function approaches are addressed. This book helps readers grasp the essential quantum mechanical principles and results that serve as the foundation of modern chemistry and become knowledgeable in major methods of computational chemistry and spectroscopic experiments being conducted by present-day researchers. Dirac notation is used throughout, and right balance between comprehensiveness, rigor, and readability is achieved, ensuring that the book remains accessible while providing all the relevant details. Complete with exercises, this book is ideal for a course on quantum chemistry or as a self-study resource.
    Note: Chapter1: Concepts and Assumptions of Quantum Mechanics -- Chapter2: Dirac Notation and Principles of Quantum Mechanics -- Chapter3: Harmonic Oscillator and Vibrational Spectroscopy -- Chapter4: Multidimensional Systems and Separation of Variables -- Chapter5: Rotational States and Spectroscopy -- Chapter6: Hydrogen-like Systems and Spin Orbit States of an Electron -- Chapter7: Approximation Methods for Time Independent Schrödinger Equation -- Chapter8: Many Electron Systems and Atomic Spectroscopy -- Chapter9: Polyatomic Molecules and Molecular Spectroscopy -- Chapter10: Quantum Dynamics of Pure and Mixed States -- Chapter11: Theories for Electronic Structure Calculation of Polyatomic Molecules -- Chapter12: Special Topics.
    In: Springer Nature eBook
    Additional Edition: Printed edition: ISBN 9783031302176
    Additional Edition: Printed edition: ISBN 9783031302190
    Additional Edition: Printed edition: ISBN 9783031302206
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
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  • 6
    Online Resource
    Online Resource
    Cham : Springer International Publishing
    UID:
    gbv_1851559531
    Format: 1 Online-Ressource (XVIII, 432 pages) , Illustrationen
    ISBN: 9783031302183
    Content: Chapter1: Concepts and Assumptions of Quantum Mechanics -- Chapter2: Dirac Notation and Principles of Quantum Mechanics -- Chapter3: Harmonic Oscillator and Vibrational Spectroscopy -- Chapter4: Multidimensional Systems and Separation of Variables -- Chapter5: Rotational States and Spectroscopy -- Chapter6: Hydrogen-like Systems and Spin Orbit States of an Electron -- Chapter7: Approximation Methods for Time Independent Schrödinger Equation -- Chapter8: Many Electron Systems and Atomic Spectroscopy -- Chapter9: Polyatomic Molecules and Molecular Spectroscopy -- Chapter10: Quantum Dynamics of Pure and Mixed States -- Chapter11: Theories for Electronic Structure Calculation of Polyatomic Molecules -- Chapter12: Special Topics.
    Content: This textbook forms the basis for an advanced undergraduate or graduate level quantum chemistry course, and can also serve as a reference for researchers in physical chemistry and chemical physics. In addition to the standard core topics such as principles of quantum mechanics, vibrational and rotational states, hydrogen-like molecules, perturbation theory, variational principles, and molecular orbital theories, this book also covers essential theories of electronic structure calculation, the primary methods for calculating quantum dynamics, and major spectroscopic techniques for quantum measurement. Plus, topics that are overlooked in conventional textbooks such as path integral formulation, open system quantum dynamics methods, and Green’s function approaches are addressed. This book helps readers grasp the essential quantum mechanical principles and results that serve as the foundation of modern chemistry and become knowledgeable in major methods of computational chemistry and spectroscopic experiments being conducted by present-day researchers. Dirac notation is used throughout, and right balance between comprehensiveness, rigor, and readability is achieved, ensuring that the book remains accessible while providing all the relevant details. Complete with exercises, this book is ideal for a course on quantum chemistry or as a self-study resource.
    Additional Edition: ISBN 9783031302176
    Additional Edition: ISBN 9783031302190
    Additional Edition: ISBN 9783031302206
    Additional Edition: Erscheint auch als Online-Ausgabe Jang, Seogjoo J. Quantum mechanics for chemistry Cham : Springer, 2023 ISBN 9783031302176
    Language: English
    Keywords: Quantenmechanik ; Hartree-Fock-Methode ; Dichtefunktionalformalismus ; Lehrbuch
    Library Location Call Number Volume/Issue/Year Availability
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