Simple Theorems Proofs And Derivations In Quantum Chemistry
DOWNLOAD
Download Simple Theorems Proofs And Derivations In Quantum Chemistry PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Simple Theorems Proofs And Derivations In Quantum Chemistry book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Simple Theorems Proofs And Derivations In Quantum Chemistry
DOWNLOAD
Author : Istvan Mayer
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Simple Theorems Proofs And Derivations In Quantum Chemistry written by Istvan Mayer 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 2013-04-17 with Science categories.
Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem istry in the amount required by the (undergraduate) chemistry curriculum of the University, and wish to acquire deeper insight in the field, possibly in prepara tion of a master's or Ph.D. thesis in theoretical chemistry. In such a situation, I have the freedom to discuss, in detail, a limited number of topics which I feel are important for one reason or another. The exact coverage may vary from year to year, but I usually concentrate on the general principles and theorems and other basic theoretical results which I foresee will retain their importance despite the rapid development of quantum chemistry. I commonly organize my lectures by treating the subject from the begin ning, without referring explicitly to any actual previous knowledge in quantum chemistry-only some familiarity with its goals, approaches and, to a lesser ex tent, techniques is supposed. I concentrate on the formulae and their derivation, assuming the audience essentially understands the reasons for deriving these results. This book is basically derived from the material of my lectures. The spe cial feature, distinguishing it from most other textbooks, is that all results are explicitly proved or derived, and the derivations are presented completely, step by step. True understanding of a theoretical result can be achieved only if one has gone through its derivation.
Quantum Chemistry
DOWNLOAD
Author : John Lowe
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Quantum Chemistry written by John Lowe and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Quantum Chemistry covers the basic principles, methods, and results of quantum chemistry, providing insights on electron behavior. This book is organized into 14 chapters that focus on ground state molecular orbital theory. After briefly dealing with some of the concepts of classical physics, the book goes on describing some simple but important particle systems. It then examines several systems with discontinuous potential energies, such as the simple harmonic oscillator and the hydrogen-like ion system. A chapter presents a set of postulates and theorems that form the formal foundation of quantum mechanics. Considerable chapters are devoted to various quantum chemical methods, as well as their basic features and application to molecular orbital evaluation. These methods include Huckel molecular orbital, variation, linear variation, extended Huckel, and SCF-LCAO-MO. The concluding chapters deal with the development of theories for molecular orbital, including time-independent Rayleigh-Schrodinger perturbation, group, and qualitative molecular orbital theories. Supplemental texts of the more complicated derivations or proofs and problems encountered in quantum chemistry are also provided. This book is an introductory text intended for organic, inorganic, and physical chemists, as well as for graduate and undergraduate students.
Ideas Of Quantum Chemistry
DOWNLOAD
Author : Lucjan Piela
language : en
Publisher: Elsevier
Release Date : 2020-01-11
Ideas Of Quantum Chemistry written by Lucjan Piela and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-11 with Science categories.
Ideas of Quantum Chemistry, Volume One: From Quantum Physics to Chemistry shows how quantum mechanics is applied to molecular sciences to provide a theoretical foundation. Organized into digestible sections and written in an accessible style, it answers questions, highlighting the most important conclusions and essential mathematical formulae. Beginning with an introduction to the magic of quantum mechanics, the book goes on to review such key topics as the Schrödinger Equation, exact solutions, and fundamental approximate methods. The crucial concept of molecular shape is then discussed, followed by the motion of nuclei and the orbital model of electronic structure. This updated volume covers the latest developments in the field and can be used either on its own as a detailed introduction to quantum chemistry or in combination with Volume Two to give a complete overview of the field. Provides fully updated coverage on an extensive range of both foundational and complex topics Uses an innovative structure to emphasize relationships between topics and help readers tailor their own path through the book Includes new sections on Time-Energy Uncertainty and Virial Theorem
Advances In Quantum Chemistry
DOWNLOAD
Author :
language : en
Publisher: Elsevier
Release Date : 2023-09-28
Advances In Quantum Chemistry written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-09-28 with Science categories.
Advances in Quantum Chemistry, Volume 88 presents the latest ongoing research at the forefront of Electronic structure theory. Chapters in the updated release include Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model, Analytical evaluation of Hylleraas-CI Coulomb and Hybrid two-center Integrals over Slater orbitals, Hartree-Fock-Roothaan Theory of Molecular Compton Profiles Via Position Space Method, Analysis of Research Trend on the Molecular Integrals Over Slater Type Orbitals, An efficient approximation for accelerating convergence of numerical power series, Results for the 1D-Schroedinger equation, The aims and objectives of algebraic molecular orbital theory, and much more. Includes new theoretical methods Provides state-of-the art electron correlation, methods and effects Covers the challenge of excited electronic states
Multiconfigurational Quantum Chemistry
DOWNLOAD
Author : Björn O. Roos
language : en
Publisher: John Wiley & Sons
Release Date : 2016-08-08
Multiconfigurational Quantum Chemistry written by Björn O. Roos 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 2016-08-08 with Science categories.
The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.
Advances In Quantum Chemical Topology Beyond Qtaim
DOWNLOAD
Author : Juan I. Rodriguez
language : en
Publisher: Elsevier
Release Date : 2022-12-06
Advances In Quantum Chemical Topology Beyond Qtaim written by Juan I. Rodriguez and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-06 with Science categories.
Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties. Provides a contemporary review of the extensions and application of QTAIM methods Compiles all extensions of QTAIM in one place for easy reference Includes a chapter with an Introduction to Quantum Chemistry Presents complex information at a level accessible to those engaged in theoretical/computational chemistry
Advanced Structural Inorganic Chemistry
DOWNLOAD
Author : Wai-Kee Li
language : en
Publisher: OUP Oxford
Release Date : 2008-03-27
Advanced Structural Inorganic Chemistry written by Wai-Kee Li and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-03-27 with Science categories.
This book is a revised and updated English edition of a textbook that has grown out of several years of teaching. The term "inorganic" is used in a broad sense as the book covers the structural chemistry of representative elements (including carbon) in the periodic table, organometallics, coordination polymers, host-guest systems and supramolecular assemblies. Part I of the book reviews the basic bonding theories, including a chapter on computational chemistry. Part II introduces point groups and space groups and their chemical applications. Part III comprises a succinct account of the structural chemistry of the elements in the periodic table. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.
Problems In Structural Inorganic Chemistry
DOWNLOAD
Author : Wai-Kee Li
language : en
Publisher: Oxford University Press
Release Date : 2018-11-30
Problems In Structural Inorganic Chemistry written by Wai-Kee Li and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-11-30 with Science categories.
This book consists of over 422 problems and their acceptable answers on structural inorganic chemistry at the senior undergraduate and beginning graduate level. The central theme running through these questions is symmetry, bonding and structure: molecular or crystalline. A wide variety of topics are covered, including Electronic States and Configurations of Atoms and Molecules, Introductory Quantum Chemistry, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, Crystal Structure, Transition Metal Chemistry, Metal Clusters: Bonding and Reactivity, and Bioinorganic Chemistry. The questions collected here originate from the examination papers and take-home assignments arising from the teaching of courses in Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, and X-Ray Crystallography by the book's two senior authors over the past five decades. The questions have been tested by generations of students taking these courses. The questions in this volume cover essentially all the topics in a typical course in structural inorganic chemistry. The text may be used as a supplement for a variety of inorganic chemistry courses at the senior undergraduate level. It also serves as a problem text to accompany the book Advanced Structural Inorganic Chemistry, co-authored by W.-K. Li, G.-D. Zhou, and T. C. W. Mak (Oxford University Press, 2008).
Theoretical And Computational Chemistry
DOWNLOAD
Author : Juan Andrés Bort
language : en
Publisher: Publicacions de la Universitat Jaume I
Release Date : 2007-07
Theoretical And Computational Chemistry written by Juan Andrés Bort and has been published by Publicacions de la Universitat Jaume I this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-07 with Science categories.
Con esta obra se pretenden unificar los fundamentos, métodos y técnicas de la química teórica y computacional. Además, cabe comentar que la presente edición no sólo va dirigida a estudiantes de doctorado (a fin de proporcionarles un nivel adecuado para sus estudios), sino que la materia se trata de manera suficientemente detallada para que lectores no tan expertos puedan acceder a ella sin ninguna dificultad
Computational Chemistry And Molecular Modeling
DOWNLOAD
Author : K. I. Ramachandran
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-05-20
Computational Chemistry And Molecular Modeling written by K. I. Ramachandran 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 2008-05-20 with Science categories.
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.