Elementary Quantum Chemistry, Second Edition

Elementary Quantum Chemistry, Second Edition
Author: Frank L. Pilar
Publisher: Courier Corporation
Total Pages: 646
Release: 2013-08-22
Genre: Science
ISBN: 0486143872

As the author notes in the Preface to this valuable text, experimental chemists have moved past studying the average behavior of atoms or molecules "to probe the step-by-step behavior of individual atoms and molecules as they collide, form 'transition states,' and ultimately form products." In such experiments, quantum mechanical computations do two useful tasks: They fill in the observational gaps and help to interpret what has been observed. This introductory course — developed by the former chairman of the chemistry department at the University of New Hampshire — covers, among other topics, the origins of the quantum theory, the Schrödinger wave equation, the quantum mechanics of simple systems, the rigid rotator, the hydrogen atom, electron spin and many-electron systems, the quantum states of atoms, the Hartree-Fock self-consistent field method, the electronic structure of molecules, and semi-empirical molecular orbital methods. One of the great values of the course is its calculations and diagrams, which were created specifically for this text and which students will be able to replicate on their home computers. The text will be most useful for advanced undergraduate or beginning graduate students who have had calculus and at least a year of undergraduate physics. A knowledge of differential equations, linear algebra, and atomic physics is helpful but not essential. Seven appendices give a concise exposition of mathematical and physical material that may not be part of the students' background.

Elementary Physical Chemistry

Elementary Physical Chemistry
Author: Bruno Linder
Publisher: World Scientific
Total Pages: 159
Release: 2010-09-09
Genre: Science
ISBN: 9814465305

This book is designed for a one-semester course, for undergraduates, not necessarily chemistry majors, who need to know something about physical chemistry. The emphasis is not on mathematical rigor, but subtleties and conceptual difficulties are not hidden. It covers the essential topics in physical chemistry, including the state of matter, thermodynamics, chemical kinetics, phase and chemical equilibria, introduction to quantum theory, and molecular spectroscopy.

Quantum Principles and Particles, Second Edition

Quantum Principles and Particles, Second Edition
Author: Walter Wilcox
Publisher: CRC Press
Total Pages: 535
Release: 2019-08-23
Genre: Science
ISBN: 1351610724

This textbook offers a unique introduction to quantum mechanics progressing gradually from elementary quantum mechanics to aspects of particle physics. It presents the microscopic world by analysis of the simplest possible quantum mechanical system (spin 1/2). A special feature is the author’s use of visual aids known as process diagrams, which show how amplitudes for quantum mechanical processes are computed. The second edition includes a new chapter and problems on time-dependent processes, in addition to new material on quantum computing and improved illustrations. Key Features: Provides a completely updated text with expanded contents. Includes a brand new chapter on time-dependent processes and expanded coverage of recent developments in particle physics. Emphasizes a visual approach employing process diagrams and utilizing new figures. Incorporates quantum information theory in a new appendix, with other helpful supplements on notation, lattice models, weak flavor mixing, and numerical simulations.

Second Quantized Approach to Quantum Chemistry

Second Quantized Approach to Quantum Chemistry
Author: Peter R. Surjan
Publisher: Springer Science & Business Media
Total Pages: 197
Release: 2012-12-06
Genre: Science
ISBN: 3642747558

The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quantization. The treatment is, in part, based on a series of seminars held by the author on the subject. It has been realized that many quantum chemists either interested in theory or in applications, being educated as chemi~ts and not as physicists, have never devoted themselves to taking a course on the second quantized approach. Most available textbooks on this topic are not very easy to follow for those who are not trained in theory, or they are not detailed enough to offer a comprehensive treatment. At the same time there are several papers in quantum chemical literature which take advantage of using second quantization, and it would be worthwhile if those papers were accessible for a wider reading public. For this reason, it is intended in this survey to review the basic formalism of second quantization, and to treat some selected chapters of quantum chemistry in this language. Most derivations will be carried out in a detailed manner, so the reader need not accept gaps to understand the result.

Quantum Chemistry

Quantum Chemistry
Author: Ajit Thakkar
Publisher: Morgan & Claypool Publishers
Total Pages: 135
Release: 2017-10-03
Genre: Science
ISBN: 1681746379

This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.

Quantum Chemistry

Quantum Chemistry
Author: Ajit J Thakkar
Publisher: Morgan & Claypool Publishers
Total Pages: 124
Release: 2014-06-01
Genre: Science
ISBN: 1627054170

This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum c

Quantum Chemistry

Quantum Chemistry
Author: David B Cook
Publisher: World Scientific Publishing Company
Total Pages: 276
Release: 2008-09-26
Genre: Science
ISBN: 1911299379

This book is a presentation of a qualitative theory of chemical bonding stressing the physical processes which occur on bond formation. It differs from most (if not all) other books in that it does not seek to “rationalize” the phenomena of bonding by a series of mnemonic rules. A principal feature is a unified and consistent treatment across all types of bonding in organic, physical and inorganic chemistry. Contents: How Science Deals with Complex ProblemsWhat We Know About Atoms and MoleculesA Strategy for Electronic StructureThe Pauli Principle and OrbitalsA Model Polyatomic: MethaneLone Pairs of ElectronsOrganic Molecules with Multiple BondsMolecular SymmetryDiatomics with Multiple BondsDative BondsDelocalised Electronic Substructures: AromaticityOrganic and Inorganic ChemistryFurther Down the Periodic TableReconsidering Empirical RulesMavericks and Other LawbreakersThe Transition ElementsOmissions and Conclusions Readership: Chemistry undergraduates and graduate students, tutors and lecturers.

Quantum Mechanics, Second edition

Quantum Mechanics, Second edition
Author: Paul C.W. Davies
Publisher: Routledge
Total Pages: 196
Release: 2018-04-27
Genre: Science
ISBN: 1351420402

Quantum mechanics is the key to modern physics and chemistry, yet it is notoriously difficult to understand. This book is designed to overcome that obstacle. Clear and concise, it provides an easily readable introduction intended for science undergraduates with no previous knowledge of quantum theory, leading them through to the advanced topics usually encountered at the final year level.Although the subject matter is standard, novel techniques have been employed that considerably simplify the technical presentation. The authors use their extensive experience of teaching and popularizing science to explain the many difficult, abstract points of the subject in easily comprehensible language. Helpful examples and thorough sets of exercises are also given to enable students to master the subject.

Elementary Quantum Mechanics (Expanded Edition)

Elementary Quantum Mechanics (Expanded Edition)
Author: Fong Peter
Publisher: World Scientific Publishing Company
Total Pages: 396
Release: 2005-06-16
Genre: Science
ISBN: 9813102004

Quantum mechanics is a difficult subject for students to learn after years of rigorous training in classical physics. In quantum mechanics they have to abandon what they have laboriously learned and adopt a new system of thinking.In the previous edition of this book, the author reformulated classical mechanics as a classical theory with an undetermined constant. As the constant approaches zero the theory reduces to Newton's exactly, but when set equal to the Planck constant the theory reduces to the Schrödinger representation of quantum mechanics. Thus the new theory, at least in its mathematical form, can be learned without ramifications and complexity. Over the years, the book has shepherded the growth of a generation of physicists.In this expanded edition, a similar trick is applied to introduce matrix mechanics. The matrix formulation presented allows quantum theory to be generalized to new physical systems such as electron spin, which cannot be done by the Schrödinger approach.The result is a textbook which promises to provide a future generation of students a clear, usable and authoritative resource to study the fundamentals of quantum mechanics. Twenty new problems are added to existing chapters.