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Mathematical Physics In Theoretical Chemistry

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Mathematical Physics in Theoretical Chemistry

Mathematical Physics in Theoretical Chemistry Book
Author : S. M. Blinder,J. E. House
Publisher : Elsevier
Release : 2018-11-26
ISBN : 0128137010
Language : En, Es, Fr & De

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Book Description :

Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Brings together the most important aspects and recent advances in theoretical and computational chemistry Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry

Mathematical Physical Chemistry

Mathematical Physical Chemistry Book
Author : Shu Hotta
Publisher : Springer
Release : 2018-01-23
ISBN : 9811076715
Language : En, Es, Fr & De

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Book Description :

This book introduces basic concepts of mathematical physics to chemists. Many textbooks and monographs of mathematical physics may appear daunting to them. Unlike other, related books, however, this one contains a practical selection of material, particularly for graduate and undergraduate students majoring in chemistry. The book first describes quantum mechanics and electromagnetism, with the relation between the two being emphasized. Although quantum mechanics covers a broad field in modern physics, the author focuses on a hydrogen(like) atom and a harmonic oscillator with regard to the operator method. This approach helps chemists understand the basic concepts of quantum mechanics aided by their intuitive understanding without abstract argument, as chemists tend to think of natural phenomena and other factors intuitively rather than only logically. The study of light propagation, reflection, and transmission in dielectric media is of fundamental importance. This book explains these processes on the basis of Maxwell equations. The latter half of the volume deals with mathematical physics in terms of vectors and their transformation in a vector space. Finally, as an example of chemical applications, quantum chemical treatment of methane is introduced, including a basic but essential explanation of Green functions and group theory. Methodology developed by the author will also prove to be useful to physicists.

Mathematical Challenges from Theoretical Computational Chemistry

Mathematical Challenges from Theoretical Computational Chemistry Book
Author : National Research Council,Division on Engineering and Physical Sciences,Commission on Physical Sciences, Mathematics, and Applications,Committee on Mathematical Challenges from Computational Chemistry
Publisher : National Academies Press
Release : 1995-03-29
ISBN : 9780309176620
Language : En, Es, Fr & De

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Book Description :

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Mathematics for Chemistry and Physics

Mathematics for Chemistry and Physics Book
Author : George Turrell
Publisher : Elsevier
Release : 2001-12-04
ISBN : 0080511279
Language : En, Es, Fr & De

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Book Description :

Chemistry and physics share a common mathematical foundation. From elementary calculus to vector analysis and group theory, Mathematics for Chemistry and Physics aims to provide a comprehensive reference for students and researchers pursuing these scientific fields. The book is based on the authors many classroom experience. Designed as a reference text, Mathematics for Chemistry and Physics will prove beneficial for students at all university levels in chemistry, physics, applied mathematics, and theoretical biology. Although this book is not computer-based, many references to current applications are included, providing the background to what goes on "behind the screen" in computer experiments.

Density Functional Theory

Density Functional Theory Book
Author : Eberhard K.U. Gross,Reiner M. Dreizler
Publisher : Springer Science & Business Media
Release : 2013-06-29
ISBN : 1475799756
Language : En, Es, Fr & De

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Book Description :

The first Nato Advanced Studies Institute entirely devoted to density functional theory was held in Portugal in September 1983. The proceedings of this School, publis hed in early 1985, is still used as a standard reference covering the basic development of the theory and applications in atomic, molecular, solid state and nuclear physics. Ho wever, astonishing progress has been achieved in the intervening years: The foundations of the theory have been extended to cover excited states and time dependent problems more fully, density functional theory of classical liquids and superconducting systems has been addressed and extensions to relativistic, that is, field theoretical systems, as well as a more thorough discussion of magnetic field problems have been presented. In addition, new functionals have been devised, for instance under the heading of ge neralised gradient expansions, and the number of applications in the traditional fields has steadily increased, in particular in chemistry. Applications in new fields, as for instance the structure of atomic clusters and the marriage of density functional theory with molecular dynamics and simulated annealing, have provided additional impetus to the field of density functional theory.

An Introduction to Theoretical Chemistry

An Introduction to Theoretical Chemistry Book
Author : Jack Simons
Publisher : Cambridge University Press
Release : 2003-03-20
ISBN : 9780521530477
Language : En, Es, Fr & De

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Book Description :

Textbook on modern theoretical chemistry suitable for advanced undergraduate or graduate students.

Theoretical and Quantum Chemistry at the Dawn of the 21st Century

Theoretical and Quantum Chemistry at the Dawn of the 21st Century Book
Author : Tanmoy Chakraborty,Ramon Carbo-Dorca
Publisher : CRC Press
Release : 2018-06-19
ISBN : 1351170953
Language : En, Es, Fr & De

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Book Description :

This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

Computational Chemistry

Computational Chemistry Book
Author : Ponnadurai Ramasami
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2021-06-21
ISBN : 3110682044
Language : En, Es, Fr & De

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Book Description :

Computational Chemistry serves as a complement to experimental chemistry where the tools are limited. Using computational programs to solve advanced problems is widely used in the design and analysis of for example new molecules, surfaces, drugs and materials. This book will present novel innovations in the field, with real-life examples of where computational technologies serves as an indispensible tool.

Statistical Mechanics of Lattice Systems

Statistical Mechanics of Lattice Systems Book
Author : David Lavis,George M. Bell
Publisher : Springer Science & Business Media
Release : 1999-03-08
ISBN : 3540644369
Language : En, Es, Fr & De

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Book Description :

Most of the interesting and difficult problems in statistical mechanics arise when the constituent particles of the system interact with each other with pair or multipartiele energies. The types of behaviour which occur in systems because of these interactions are referred to as cooperative phenomena giving rise in many cases to phase transitions. This book and its companion volume (Lavis and Bell 1999, referred to in the text simply as Volume 1) are princi pally concerned with phase transitions in lattice systems. Due mainly to the insights gained from scaling theory and renormalization group methods, this subject has developed very rapidly over the last thirty years. ' In our choice of topics we have tried to present a good range of fundamental theory and of applications, some of which reflect our own interests. A broad division of material can be made between exact results and ap proximation methods. We have found it appropriate to inelude some of our discussion of exact results in this volume and some in Volume 1. Apart from this much of the discussion in Volume 1 is concerned with mean-field theory. Although this is known not to give reliable results elose to a critical region, it often provides a good qualitative picture for phase diagrams as a whole. For complicated systems some kind of mean-field method is often the only tractable method available. In this volume our main concern is with scaling theory, algebraic methods and the renormalization group.

Understanding Physics and Physical Chemistry Using Formal Graphs

Understanding Physics and Physical Chemistry Using Formal Graphs Book
Author : Eric Vieil
Publisher : CRC Press
Release : 2012-02-23
ISBN : 1420086138
Language : En, Es, Fr & De

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Book Description :

The subject of this book is truly original. By encoding of algebraic equations into graphs-originally a purely pedagogical technique-the exploration of physics and physical chemistry reveals common pictures through all disciplines. The hidden structure of the scientific formalism that appears is a source of astonishment and provides efficient simpl

Mathematics Physics Chemistry With The Wolfram Language

Mathematics  Physics   Chemistry With The Wolfram Language Book
Author : S M Blinder
Publisher : World Scientific
Release : 2022-02-18
ISBN : 981124720X
Language : En, Es, Fr & De

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Book Description :

The Wolfram language is the programming language of Mathematica, used increasingly by scientists due to its ease of learning and user-friendliness. This book focuses on applications of the Wolfram language to applied mathematics, physics and chemistry. Topics discussed are broad and comprehensive, from differential equations and special functions to fractals and chess, from electromagnetism and optics to relativity and black holes. There is also extensive coverage of quantum theory and quantum chemistry, and the book is peppered with more than 200 color graphics to aid visualization of these concepts. The program codes are provided online as Mathematica notebooks, allowing readers to modify them and manipulate the graphics in real time. This book should be a valuable resource for researchers, educators and students in science and computing who can profit from a more interactive form of instruction.

Mathematics for Quantum Chemistry

Mathematics for Quantum Chemistry Book
Author : Jay Martin Anderson
Publisher : Courier Corporation
Release : 2012-12-13
ISBN : 0486151484
Language : En, Es, Fr & De

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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.

Guide to Essential Math

Guide to Essential Math Book
Author : Sy M. Blinder
Publisher : Newnes
Release : 2013-02-14
ISBN : 0124071589
Language : En, Es, Fr & De

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Book Description :

This book reminds students in junior, senior and graduate level courses in physics, chemistry and engineering of the math they may have forgotten (or learned imperfectly) that is needed to succeed in science courses. The focus is on math actually used in physics, chemistry, and engineering, and the approach to mathematics begins with 12 examples of increasing complexity, designed to hone the student's ability to think in mathematical terms and to apply quantitative methods to scientific problems. Detailed illustrations and links to reference material online help further comprehension. The second edition features new problems and illustrations and features expanded chapters on matrix algebra and differential equations. Use of proven pedagogical techniques developed during the author’s 40 years of teaching experience New practice problems and exercises to enhance comprehension Coverage of fairly advanced topics, including vector and matrix algebra, partial differential equations, special functions and complex variables

Diverse Topics in Theoretical and Mathematical Physics

Diverse Topics in Theoretical and Mathematical Physics Book
Author : Roman W. Jackiw
Publisher : World Scientific
Release : 1995
ISBN : 9789810216979
Language : En, Es, Fr & De

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Book Description :

In this volume, topics are drawn from field theory, especially gauge field theory, as applied to particle, condensed matter and gravitational physics, and concern a variety of interesting subjects. These include geometricalDtopological effects in quantum theory, fractional charge, time travel, relativistic quantized fields in and out of thermal equilibrium and quantum modifications of symmetry in physical systems.Many readers will find this a useful volume, especially theoretical physicists and mathematicians. The material will be of interest to both the expert who will find well-presented novel and stimulating viewpoints of various subjects and the novice who will find complete, detailed and precise descriptions of important topics of current interest, in theoretical and mathematical physics.

Algebraic Methods in Quantum Chemistry and Physics

Algebraic Methods in Quantum Chemistry and Physics Book
Author : Francisco M. Fernandez,E.A. Castro
Publisher : CRC Press
Release : 2020-01-16
ISBN : 100072266X
Language : En, Es, Fr & De

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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.

Physical Chemistry

Physical Chemistry Book
Author : Kenneth S Schmitz
Publisher : Elsevier
Release : 2016-11-11
ISBN : 0128006005
Language : En, Es, Fr & De

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Book Description :

Physical Chemistry: Concepts and Theory provides a comprehensive overview of physical and theoretical chemistry while focusing on the basic principles that unite the sub-disciplines of the field. With an emphasis on multidisciplinary, as well as interdisciplinary applications, the book extensively reviews fundamental principles and presents recent research to help the reader make logical connections between the theory and application of physical chemistry concepts. Also available from the author: Physical Chemistry: Multidisciplinary Applications (ISBN 9780128005132). Describes how materials behave and chemical reactions occur at the molecular and atomic levels Uses theoretical constructs and mathematical computations to explain chemical properties and describe behavior of molecular and condensed matter Demonstrates the connection between math and chemistry and how to use math as a powerful tool to predict the properties of chemicals Emphasizes the intersection of chemistry, math, and physics and the resulting applications across many disciplines of science

The Mathematical Principles of Scale Relativity Physics

The Mathematical Principles of Scale Relativity Physics Book
Author : Nicolae Mazilu,Maricel Agop,Ioan Merches
Publisher : CRC Press
Release : 2019-09-12
ISBN : 1000751023
Language : En, Es, Fr & De

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Book Description :

The Mathematical Principles of Scale Relativity Physics: The Concept of Interpretation explores and builds upon the principles of Laurent Nottale’s scale relativity. The authors address a variety of problems encountered by researchers studying the dynamics of physical systems. It explores Madelung fluid from a wave mechanics point of view, showing that confinement and asymptotic freedom are the fundamental laws of modern natural philosophy. It then probes Nottale’s scale transition description, offering a sound mathematical principle based on continuous group theory. The book provides a comprehensive overview of the matter to the reader via a generalization of relativity, a theory of colors, and classical electrodynamics. Key Features: Develops the concept of scale relativity interpreted according to its initial definition enticed by the birth of wave and quantum mechanics Provides the fundamental equations necessary for interpretation of matter, describing the ensembles of free particles according to the concepts of confinement and asymptotic freedom Establishes a natural connection between the Newtonian forces and the Planck’s law from the point of view of space and time scale transition: both are expressions of invariance to scale transition The work will be of great interest to graduate students, doctoral candidates, and academic researchers working in mathematics and physics.

From Chemical Philosophy to Theoretical Chemistry

From Chemical Philosophy to Theoretical Chemistry Book
Author : Mary Jo Nye
Publisher : Univ of California Press
Release : 1994-03-01
ISBN : 0520913566
Language : En, Es, Fr & De

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Book Description :

How did chemistry and physics acquire their separate identities, and are they on their way to losing them again? Mary Jo Nye has written a graceful account of the historical demarcation of chemistry from physics and subsequent reconvergences of the two, from Lavoisier and Dalton in the late eighteenth century to Robinson, Ingold, and Pauling in the mid-twentieth century. Using the notion of a disciplinary "identity" analogous to ethnic or national identity, Nye develops a theory of the nature of disciplinary structure and change. She discusses the distinctive character of chemical language and theories and the role of national styles and traditions in building a scientific discipline. Anyone interested in the history of scientific thought will enjoy pondering with her the question of whether chemists of the mid-twentieth century suspected chemical explanation had been reduced to physical laws, just as Newtonian mechanical philosophers had envisioned in the eighteenth century.

Essentials of Computational Chemistry

Essentials of Computational Chemistry Book
Author : Christopher J. Cramer
Publisher : John Wiley & Sons
Release : 2013-04-29
ISBN : 1118712277
Language : En, Es, Fr & De

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Book Description :

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Introduction to Quantum Mechanics

Introduction to Quantum Mechanics Book
Author : Sy M. Blinder
Publisher : Academic Press
Release : 2004-06-07
ISBN : 0121060519
Language : En, Es, Fr & De

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Book Description :

Introduction to Quantum Mechanics provides a lucid, up-to-date introduction to the principles of quantum mechanics at the level of undergraduates and first-year graduate students in chemistry, materials science, biology and related fields. It shows how the fundamental concepts of quantum theory arose from classic experiments in physics and chemistry, and presents the quantum-mechanical foundations of modern techniques including molecular spectroscopy, lasers and NMR. Blinder also discusses recent conceptual developments in quantum theory, including Schrödinger's Cat, the Einstein-Podolsky-Rosen experiment, Bell's theorem and quantum computing. Clearly presents the basics of quantum mechanics and modern developments in the field Explains applications to molecular spectroscopy, lasers, NMR, and MRI Introduces new concepts such as Schrödinger's Cat, Bell's Theorem, and quantum computing Includes full-color illustrations, proven pedagogical features, and links to online materials