Download or read book Quantum Mechanics of the Diatomic Molecule with Applications written by Christian G. Parigger and published by Institute of Physics Publishing. This book was released on 2019-11-13 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: Summarizing more than 30 years of quantitative analysis of temporally and spatially-resolved experimental records, and introducing insights that are essential in utilizing the inherent symmetries associated with diatomic molecules, this is a valuable reference to any academic engaged in the field of spectroscopy and serves as a comprehensive guide to anyone with a genuine interest in the subject.
Download or read book Quantum Mechanics of the Diatomic Molecule with Applications written by PARIGGER and published by Iop Expanding Physics. This book was released on 2019-11-13 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: Summarizing more than 30 years of quantitative analysis of temporally and spatially-resolved experimental records, and introducing insights that are essential in utilizing the inherent symmetries associated with diatomic molecules, this is a valuable reference to any academic engaged in the field of spectroscopy and serves as a comprehensive guide to anyone with a genuine interest in the subject.
Download or read book Introduction to Quantum Mechanics written by S.M. Blinder and published by Academic Press. This book was released on 2020-10-09 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. - Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications - Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers - Presents additional problems and exercises to further support learning
Download or read book Introduction to Quantum Mechanics with Applications to Chemistry written by Linus Pauling and published by Courier Corporation. This book was released on 2012-06-08 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.
Download or read book Quantum Mechanics with Applications written by David B Beard and published by Courier Corporation. This book was released on 2014-10-15 with total page 353 pages. Available in PDF, EPUB and Kindle. Book excerpt: This introductory text emphasizes Feynman's development of path integrals and its application to wave theory for particles. Suitable for undergraduate and graduate students of physics, the well-written, clear, and rigorous text was written by two of the nation's leading authorities on quantum physics. A solid foundation in quantum mechanics and atomic physics is assumed. Early chapters provide background in the mathematical treatment and particular properties of ordinary wave motion that also apply to particle motion. The close relation of quantum theory to physical optics is stressed. Subsequent sections emphasize the physical consequences of a wave theory of material properties, and they offer extensive applications in atomic physics, nuclear physics, solid state physics, and diatomic molecules. Four helpful Appendixes supplement the text. Dover (2014) republication of the edition originally published by Allyn and Bacon, Inc., Boston, 1970. See every Dover book in print at www.doverpublications.com
Download or read book Fundamentals of Quantum Chemistry written by Michael P. Mueller and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck’s agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems. Quantum theory predictions of these systems were first verified through experimental spectroscopic studies in the electromagnetic spectrum (microwave, infrared and ultraviolet/visible), and, later, by nuclear magnetic resonance (NMR) spectroscopy. Over two generations these studies were hampered by two major drawbacks: lack of resolution of spectroscopic data, and the complexity of calculations. This powerful theory that promised understanding of the fundamental nature of molecules faced formidable challenges. The following example may put things in perspective for today’s chemistry faculty, college seniors or graduate students: As little as 40 years ago, force field calculations on a molecule as simple as ketene was a four to five year dissertation project.
Download or read book Introduction to the Quantum World of Atoms and Molecules written by Jens Peder Dahl and published by World Scientific. This book was released on 2001 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree?Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.
Download or read book Quantum Mechanics with Applications written by Iraj R. Afnan and published by Bentham Science Publishers. This book was released on 2011 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The ebook introduces undergraduate students to the basic skills required to use non-relativistic quantum mechanics for bound and scattering problems in atomic, molecular and nuclear physics. Initial emphasis is on problems that admit analytic solutions. T"
Download or read book Modelling of a diatomic molecule as a simple quantum harmonic oscillator An alternative perspective written by William Fidler and published by GRIN Verlag. This book was released on 2021-12-01 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt: Academic Paper from the year 2021 in the subject Physics - Quantum Physics, grade: 2.00, , language: English, abstract: In this paper, a diatomic molecule is modelled as a simple quantum harmonic oscillator. The conventional solution of the Time-Independent Schrödinger equation (TISE) yields the wave function as the product of a Gaussian and Hermite polynomials. It is argued that the limits set for the vanishing of the wave function in the conventional solution are inappropriate for the modelling of a diatomic molecule by such an oscillator; instead, we posit that the wave function vanishes at the limits of the excursions of the mass centres of the atoms from their equilibrium positions. It is shown that the energy eigenstates for the model developed here are given by: E = hv[ 1 + (n pi/4)^2], where the symbols have their usual connotation.
Download or read book Molecular Quantum Mechanics written by Peter William Atkins and published by Oxford University Press, USA. This book was released on 1970 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Elements of Quantum Mechanics with Chemical Applications written by Jean Barriol and published by . This book was released on 1971 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Physics written by Theodore Buyana and published by World Scientific. This book was released on 1997-07-15 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book combines in one concise volume the diverse work of several similar books in the market. Each chapter is self-contained and designed to serve the needs of graduates and undergraduates in physics, biochemistry and chemistry. Numerous illustrations accompany the material and more than 60 problems in molecular physics are worked out. Tedious mathematics that obscures the essence of physics is avoided. Though mainly theoretical, many important experimental aspects are included and discussed. It aims at teaching, and not commenting on scientific knowledge. An essential compendium, it can be used both as a textbook and a reference.The main features covered include: Quantum-mechanical treatment of molecular physics; theoretical treatment of molecular spectra and experimental techniques in spectroscopy; interatomic interactions, potentials, molecular stability, energy levels, bonds, rotational and vibrational states, anharmonicity, polarization; theoretical consideration of real molecules. Resonance methods (NMR, NQR, EPR and ENDOR. Theory, experimental apparatus, techniques, numerical results, applications and utility thereof).
Download or read book Angular Momentum Theory for Diatomic Molecules written by Brain Judd and published by Elsevier. This book was released on 2012-12-02 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt: Angular Momentum Theory for Diatomic Molecules focuses on the application of angular momentum theory in describing the complex dynamical processes in molecules. The manuscript first offers information on tensor algebra and rotation group. Discussions focus on commutation relations, spherical and double tensors, rotations, coupling, reduced matrix elements, quaternions, combination theorem for Gegenbauer polynomials, and combination theorems for spherical harmonics. The book then takes a look at R(4) in physical systems and hydrogen molecular ion, including rigid rotator, reversed angular momentum, reduced matrix elements, spheroidal coordinates, and hydrogen atom in spheroidal coordinates. The publication examines expansions and free diatomic molecules. Topics include angular momentum, molecular frame, primitive energy spectrum, rotating oscillator and hydrogen atom, expressions for electric potentials, delta functions, and Neumann expansion. The manuscript also considers external fields and perturbations. The text is a dependable reference for readers interested in the application of angular momentum theory in identifying the dynamical processes going on in molecules.
Download or read book Applications of Quantum Dynamics in Chemistry written by Fabien Gatti and published by Springer. This book was released on 2017-09-05 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization. Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments illustrate the power of the method. The book restricts complicated formalism to the necessary and in a self-contained and clearly explained way, offering the reader an introduction to, and instructions for, practical exercises. Continuative explanation and math are optionally supplemented for the interested reader. The reader learns how to apply example simulations with the MCTDH program package (Multi Configuration Time Dependent Hartree calculations). Readers can thus obtain the tools to run their own simulations and apply them to their problems. Selected scripts and program code from the examples are made available as supplementary material. This book bridges the gap between the existing textbooks on fundamental theoretical chemistry and research monographs focusing on sophisticated applications. It is a must-read for everyone who wants to gain a sound understanding of Molecular Quantum Dynamics simulations and to obtain basic experience in running their own simulations.
Download or read book Diatomic Interaction Potential Theory written by Jerry Goodisman and published by Academic Press. This book was released on 2013-10-22 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: Diatomic Interaction Potential Theory, Volume 2: Applications discusses the variety of applicable theoretical material and approaches in the calculations for diatomic systems in their ground states. The volume covers the descriptions and illustrations of modern calculations. Chapter I discusses the calculation of the interaction potential for large and small values of the internuclear distance R (separated and united atom limits). Chapter II covers the methods used for intermediate values of R, which in principle means any values of R. The Hartree-Fock and configuration interaction schemes described here have been the most used of all the methods. Semiempirical theories and methods constitute the subject of the last chapter. The book will be of value to physicists and students of physics.
Download or read book Principles of Quantum Chemistry written by David V. George and published by Elsevier. This book was released on 2013-10-22 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems. This book describes chemical bonding and its two specific problems — bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum chemistry; symmetry in chemistry; and molecular-orbital theory are also covered. This publication is recommended for students taking undergraduate and graduate courses in quantum chemistry.
Download or read book Quantum Mechanics written by Arno Böhm and published by Springer. This book was released on 1993 with total page 720 pages. Available in PDF, EPUB and Kindle. Book excerpt:
