Novel Group Theoretical Methods For Electron Structure Theory
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Novel Group Theoretical Methods For Electron Structure Theory
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Author : Victor G. Yarzhemsky
language : en
Publisher: Springer Nature
Release Date : 2025-02-22
Novel Group Theoretical Methods For Electron Structure Theory written by Victor G. Yarzhemsky and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-22 with Science categories.
This book presents the induced representation method, a powerful technique in quantum mechanics with applications in condensed matter physics. After introducing the key concepts in group theory and representation theory necessary to understate the technique, the author goes on to explore applications in electron structure theory, namely: basis sets in clusters, normal vibrations, selection rules, two-electron wavefunctions, and space-group representations. This technique allows the simplification of standard techniques for the analysis of molecular orbitals and normal vibrations of molecules. A space group approach to the wavefunction of a Cooper pair based on the Anderson ansatz and Mackey-Bradley theorem is developed, and several applications are considered, namely group-theoretical nodes, non-symmorphic groups, and unification of the group theoretical and topological approaches to the structure of Cooper pairs in unconventional superconductors.
Novel Group Theoretical Methods For Electron Structure Theory
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Author : VICTOR. YARZHEMSKY
language : en
Publisher: Springer
Release Date : 2024-11-24
Novel Group Theoretical Methods For Electron Structure Theory written by VICTOR. YARZHEMSKY and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-24 with Mathematics categories.
Electronic States And Optical Transitions In Semiconductor Heterostructures
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Author : Fedor T. Vasko
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Electronic States And Optical Transitions In Semiconductor Heterostructures written by Fedor T. Vasko and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Technology & Engineering categories.
The study of semiconductor heterostructures started more than forty years ago. In the 1980s this area of research moved to the forefront of semiconduc tor physics, largely due to progress in growth technologies which are now capable of producing ultrathin layers (up to a few monolayers) of different semiconductor materials. The availability of structures with nearly ideal, well-controlled properties has made semiconductor heterostructures a test ing ground for solid-state physics. These structures have had a profound impact on basic research in semiconductor physics by opening new possibil ities for studying low-dimensional electrons, as well as the atomic and elec tronic properties of interfaces. Semiconductor heterostructures have also a variety of important practical applications: they provide a material basis for a number of novel devices, and also open the way for improving the operating characteristics of traditional micro- and optoelectronic compo nents. As a result of the growing importance of heterostructure physics, more and more people are entering this dynamic field, either from graduate school or from other areas of research. For the new entrants, the task of familiariz ing themselves with the vast body of existing knowledge about heterostruc tures has become quite a challenge, due to the rapid development of the field and its increasing subdivision into distinct subfields. Even for those who already work in one area of heterostructure physics, keeping up with the developments in neighboring areas is not an easy task. The purpose of this book is to make heterostructure physics more accessible.
Group Theory In Solid State Physics And Photonics
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Author : Wolfram Hergert
language : en
Publisher: John Wiley & Sons
Release Date : 2018-05-29
Group Theory In Solid State Physics And Photonics written by Wolfram Hergert and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-29 with Science categories.
While group theory and its application to solid state physics is well established, this textbook raises two completely new aspects. First, it provides a better understanding by focusing on problem solving and making extensive use of Mathematica tools to visualize the concepts. Second, it offers a new tool for the photonics community by transferring the concepts of group theory and its application to photonic crystals. Clearly divided into three parts, the first provides the basics of group theory. Even at this stage, the authors go beyond the widely used standard examples to show the broad field of applications. Part II is devoted to applications in condensed matter physics, i.e. the electronic structure of materials. Combining the application of the computer algebra system Mathematica with pen and paper derivations leads to a better and faster understanding. The exhaustive discussion shows that the basics of group theory can also be applied to a totally different field, as seen in Part III. Here, photonic applications are discussed in parallel to the electronic case, with the focus on photonic crystals in two and three dimensions, as well as being partially expanded to other problems in the field of photonics. The authors have developed Mathematica package GTPack which is available for download from the book's homepage. Analytic considerations, numerical calculations and visualization are carried out using the same software. While the use of the Mathematica tools are demonstrated on elementary examples, they can equally be applied to more complicated tasks resulting from the reader's own research.
Quantum Mechanical Electronic Structure Calculations With Chemical Accuracy
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Author : S. Langhoff
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Quantum Mechanical Electronic Structure Calculations With Chemical Accuracy written by S. Langhoff and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.
Quantum Mechanics For Chemistry
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Author : Seogjoo J. Jang
language : en
Publisher: Springer Nature
Release Date : 2023-06-28
Quantum Mechanics For Chemistry written by Seogjoo J. Jang and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-28 with Science categories.
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.
Molecular Electronic Structures Of Transition Metal Complexes Ii
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Author : David Michael P. Mingos
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-11
Molecular Electronic Structures Of Transition Metal Complexes Ii written by David Michael P. Mingos and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-01-11 with Science categories.
T. Ziegler: A Chronicle About the Development of Electronic Structure Theories for Transition Metal Complexes.- J. Linderberg: Orbital Models and Electronic Structure Theory.- J.S. and J.E. Avery: Sturmians and Generalized Sturmians in Quantum Theory.- B.T Sutcliffe: Chemistry as a “Manifestation of Quantum Phenomena” and the Born–Oppenheimer Approximation?- A.J. McCaffery: From Ligand Field Theory to Molecular Collision Dynamics: A Common Thread of Angular Momentum.- M. Atanasov, D. Ganyushin, K. Sivalingam and F. Neese: A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions.- R.S. Berry and B.M. Smirnov: The Phase Rule: Beyond Myopia to Understanding.
Nuclear Science Abstracts
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Author :
language : en
Publisher:
Release Date : 1976
Nuclear Science Abstracts written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Nuclear energy categories.
Computational Methods In Lanthanide And Actinide Chemistry
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Author : Michael Dolg
language : en
Publisher: John Wiley & Sons
Release Date : 2015-02-17
Computational Methods In Lanthanide And Actinide Chemistry written by Michael Dolg and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-02-17 with Science categories.
The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: Relativistic configuration interaction calculations for lanthanide and actinide anions Study of actinides by relativistic coupled cluster methods Relativistic all-electron approaches to the study of f- element chemistry Relativistic pseudopotentials and their applications Gaussian basis sets for lanthanide and actinide elements Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.
Temporal Structures In Individual Time Management Practices To Enhance Calendar Tool Design
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Author : Wu, Dezhi
language : en
Publisher: IGI Global
Release Date : 2009-08-31
Temporal Structures In Individual Time Management Practices To Enhance Calendar Tool Design written by Wu, Dezhi and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-08-31 with Computers categories.
"This book covers the latest concepts, methodologies, techniques, tools, and perspectives essential to understanding individual time management experiences"--Provided by publisher.