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Mathematics for Quantum Chemistry

Mathematics for Quantum Chemistry PDF Author: Jay Martin Anderson
Publisher: Courier Corporation
ISBN: 0486151484
Category : Science
Languages : en
Pages : 177

Book Description
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.

Mathematics for Quantum Chemistry

Mathematics for Quantum Chemistry PDF Author: Jay Martin Anderson
Publisher: Courier Corporation
ISBN: 0486151484
Category : Science
Languages : en
Pages : 177

Book Description
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.

Mathematics for Quantum Chemistry

Mathematics for Quantum Chemistry PDF Author: Jay Martin Anderson
Publisher: Courier Corporation
ISBN: 0486442306
Category : Science
Languages : en
Pages : 177

Book Description
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.

Mathematics for Quantum Chemistry

Mathematics for Quantum Chemistry PDF Author: Jay Martin Anderson
Publisher: Dover Publications
ISBN: 9780486786056
Category :
Languages : en
Pages : 176

Book Description
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 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
ISBN: 3642572375
Category : Science
Languages : en
Pages : 247

Book Description
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.

Algebraic Methods in Quantum Chemistry and Physics

Algebraic Methods in Quantum Chemistry and Physics PDF Author: Francisco M. Fernandez
Publisher: CRC Press
ISBN: 9780849382925
Category : Science
Languages : en
Pages : 284

Book Description
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.

Mathematics of Classical and Quantum Physics

Mathematics of Classical and Quantum Physics PDF Author: Frederick W. Byron
Publisher: Courier Corporation
ISBN: 0486135063
Category : Science
Languages : en
Pages : 674

Book Description
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.

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
ISBN: 1475765193
Category : Science
Languages : en
Pages : 341

Book Description
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.

Problems and Solutions in Quantum Chemistry and Physics

Problems and Solutions in Quantum Chemistry and Physics PDF Author: Charles S. Johnson
Publisher: Courier Corporation
ISBN: 0486151530
Category : Science
Languages : en
Pages : 448

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

Quantum Theory for Mathematicians

Quantum Theory for Mathematicians PDF Author: Brian C. Hall
Publisher: Springer Science & Business Media
ISBN: 1461471168
Category : Science
Languages : en
Pages : 554

Book Description
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.

Mathematical Methods in Quantum Mechanics

Mathematical Methods in Quantum Mechanics PDF Author: Gerald Teschl
Publisher: American Mathematical Soc.
ISBN: 0821846604
Category : Quantum theory
Languages : en
Pages : 322

Book Description
Quantum mechanics and the theory of operators on Hilbert space have been deeply linked since their beginnings in the early twentieth century. States of a quantum system correspond to certain elements of the configuration space and observables correspond to certain operators on the space. This book is a brief, but self-contained, introduction to the mathematical methods of quantum mechanics, with a view towards applications to Schrodinger operators. Part 1 of the book is a concise introduction to the spectral theory of unbounded operators. Only those topics that will be needed for later applications are covered. The spectral theorem is a central topic in this approach and is introduced at an early stage. Part 2 starts with the free Schrodinger equation and computes the free resolvent and time evolution. Position, momentum, and angular momentum are discussed via algebraic methods. Various mathematical methods are developed, which are then used to compute the spectrum of the hydrogen atom. Further topics include the nondegeneracy of the ground state, spectra of atoms, and scattering theory. This book serves as a self-contained introduction to spectral theory of unbounded operators in Hilbert space with full proofs and minimal prerequisites: Only a solid knowledge of advanced calculus and a one-semester introduction to complex analysis are required. In particular, no functional analysis and no Lebesgue integration theory are assumed. It develops the mathematical tools necessary to prove some key results in nonrelativistic quantum mechanics. Mathematical Methods in Quantum Mechanics is intended for beginning graduate students in both mathematics and physics and provides a solid foundation for reading more advanced books and current research literature. It is well suited for self-study and includes numerous exercises (many with hints).