Mathematics for Quantum Chemistry

Mathematics for Quantum Chemistry PDF

Author: Jay Martin Anderson

Publisher: Courier Corporation

Published: 2012-12-13

Total Pages: 177

ISBN-13: 0486151484

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Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition.

MATHEMATICAL CONCEPTS OF QUANTUM MECHANICS

MATHEMATICAL CONCEPTS OF QUANTUM MECHANICS PDF

Author: STEPHEN J. GUSTAFSON

Publisher:

Published: 2020

Total Pages:

ISBN-13: 3030595625

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The book gives a streamlined introduction to quantum mechanics while describing the basic mathematical structures underpinning this discipline. Starting with an overview of key physical experiments illustrating the origin of the physical foundations, the book proceeds with a description of the basic notions of quantum mechanics and their mathematical content. It then makes its way to topics of current interest, specifically those in which mathematics plays an important role. The more advanced topics presented include: many-body systems, modern perturbation theory, path integrals, the theory of resonances, adiabatic theory, geometrical phases, Aharonov-Bohm effect, density functional theory, open systems, the theory of radiation (non-relativistic quantum electrodynamics), and the renormalization group. With different selections of chapters, the book can serve as a text for an introductory, intermediate, or advanced course in quantum mechanics. Some of the sections could be used for introductions to geometrical methods in Quantum Mechanics, to quantum information theory and to quantum electrodynamics and quantum field theory.

Quantum Theory for Mathematicians

Quantum Theory for Mathematicians PDF

Author: Brian C. Hall

Publisher: Springer Science & Business Media

Published: 2013-06-19

Total Pages: 566

ISBN-13: 1461471168

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Although ideas from quantum physics play an important role in many parts of modern mathematics, there are few books about quantum mechanics aimed at mathematicians. This book introduces the main ideas of quantum mechanics in language familiar to mathematicians. Readers with little prior exposure to physics will enjoy the book's conversational tone as they delve into such topics as the Hilbert space approach to quantum theory; the Schrödinger equation in one space dimension; the Spectral Theorem for bounded and unbounded self-adjoint operators; the Stone–von Neumann Theorem; the Wentzel–Kramers–Brillouin approximation; the role of Lie groups and Lie algebras in quantum mechanics; and the path-integral approach to quantum mechanics. The numerous exercises at the end of each chapter make the book suitable for both graduate courses and independent study. Most of the text is accessible to graduate students in mathematics who have had a first course in real analysis, covering the basics of L2 spaces and Hilbert spaces. The final chapters introduce readers who are familiar with the theory of manifolds to more advanced topics, including geometric quantization.

Mathematics of Classical and Quantum Physics

Mathematics of Classical and Quantum Physics PDF

Author: Frederick W. Byron

Publisher: Courier Corporation

Published: 2012-04-26

Total Pages: 674

ISBN-13: 0486135063

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Graduate-level text offers unified treatment of mathematics applicable to many branches of physics. Theory of vector spaces, analytic function theory, theory of integral equations, group theory, and more. Many problems. Bibliography.

Mathematical Models and Methods for Ab Initio Quantum Chemistry

Mathematical Models and Methods for Ab Initio Quantum Chemistry PDF

Author: M. Defranceschi

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 247

ISBN-13: 3642572375

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On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can produce a rather homogeneous presentation of the domain to an uninitiated audience. To the best of our knowledgde, nothing of this kind had never been tempted so far. It seemed to us that it was the good time for doing it, both . because the interest of applied mathematicians into the world of computational chemistry has exponentially increased in the past few years, and because the community of chemists feels more and more concerned with the numerical issues. Indeed, in the early years of Quantum Chemistry, the pioneers (Coulson, Mac Weeny, just to quote two of them) used to solve fundamental equations modelling toy systems which could be simply numerically handled in view of their very limited size. The true difficulty arose with the need to model larger systems while possibly taking into account their interaction with their environment. Hand calculations were no longer possible, and computing science came into the picture.

Problems and Solutions in Quantum Chemistry and Physics

Problems and Solutions in Quantum Chemistry and Physics PDF

Author: Charles S. Johnson

Publisher: Courier Corporation

Published: 2013-01-18

Total Pages: 750

ISBN-13: 0486151530

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Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.

A Mathematical Journey to Quantum Mechanics

A Mathematical Journey to Quantum Mechanics PDF

Author: Salvatore Capozziello

Publisher: Springer Nature

Published: 2021-09-27

Total Pages: 294

ISBN-13: 3030860981

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This book provides an itinerary to quantum mechanics taking into account the basic mathematics to formulate it. Specifically, it features the main experiments and postulates of quantum mechanics pointing out their mathematical prominent aspects showing how physical concepts and mathematical tools are deeply intertwined. The material covers topics such as analytic mechanics in Newtonian, Lagrangian, and Hamiltonian formulations, theory of light as formulated in special relativity, and then why quantum mechanics is necessary to explain experiments like the double-split, atomic spectra, and photoelectric effect. The Schrödinger equation and its solutions are developed in detail. It is pointed out that, starting from the concept of the harmonic oscillator, it is possible to develop advanced quantum mechanics. Furthermore, the mathematics behind the Heisenberg uncertainty principle is constructed towards advanced quantum mechanical principles. Relativistic quantum mechanics is finally considered.The book is devoted to undergraduate students from University courses of Physics, Mathematics, Chemistry, and Engineering. It consists of 50 self-contained lectures, and any statement and theorem are demonstrated in detail. It is the companion book of "A Mathematical Journey to Relativity", by the same Authors, published by Springer in 2020.

Simple Theorems, Proofs, and Derivations in Quantum Chemistry

Simple Theorems, Proofs, and Derivations in Quantum Chemistry PDF

Author: Istvan Mayer

Publisher: Springer Science & Business Media

Published: 2013-04-17

Total Pages: 341

ISBN-13: 1475765193

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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.

Algebraic Methods in Quantum Chemistry and Physics

Algebraic Methods in Quantum Chemistry and Physics PDF

Author: Francisco M. Fernandez

Publisher: CRC Press

Published: 1995-10-24

Total Pages: 284

ISBN-13: 9780849382925

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Algebraic Methods in Quantum Chemistry and Physics provides straightforward presentations of selected topics in theoretical chemistry and physics, including Lie algebras and their applications, harmonic oscillators, bilinear oscillators, perturbation theory, numerical solutions of the Schrödinger equation, and parameterizations of the time-evolution operator. The mathematical tools described in this book are presented in a manner that clearly illustrates their application to problems arising in theoretical chemistry and physics. The application techniques are carefully explained with step-by-step instructions that are easy to follow, and the results are organized to facilitate both manual and numerical calculations. Algebraic Methods in Quantum Chemistry and Physics demonstrates how to obtain useful analytical results with elementary algebra and calculus and an understanding of basic quantum chemistry and physics.

Quantum Mechanics for Mathematicians

Quantum Mechanics for Mathematicians PDF

Author: Leon Armenovich Takhtadzhi͡an

Publisher: American Mathematical Soc.

Published: 2008

Total Pages: 410

ISBN-13: 0821846302

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Presents a comprehensive treatment of quantum mechanics from a mathematics perspective. Including traditional topics, like classical mechanics, mathematical foundations of quantum mechanics, quantization, and the Schrodinger equation, this book gives a mathematical treatment of systems of identical particles with spin.