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.

Explore Atoms and Molecules!

Explore Atoms and Molecules!
Author: Janet Slingerland
Publisher: Nomad Press
Total Pages: 195
Release: 2017-04-11
Genre: Juvenile Nonfiction
ISBN: 1619304937

Atoms and molecules are the basic building blocks of matter. Matter is every physical thing around us in the universe, including our own bodies! In Explore Atoms and Molecules! With 25 Great Projects, readers ages 7 to 10 investigate the structure of atoms and learn how atoms fit together to form molecules and materials. If everything is made out of atoms and molecules, why do people look different from dogs and doorknobs? In Explore Atoms and Molecules, readers discover that the characteristics of a material are determined by the way the atoms and molecules connect, and study how chemical reactions change these connections to create everything we know. This book discusses the elements on the periodic table and why they are grouped into families, encouraging the exploration of meaningful classification systems. States of matter and mixtures and compounds round out the exploration of atoms and molecules! This book supports the maker movement with lots of hands-on activities that illuminate the concepts of chemistry. Readers build 3-D models of molecules and create a periodic table guessing game. Fascinating sidebars offer opportunities for readers to connect the text with real-world science, and cartoon illustrations provide a fun foundation for learning.

Atoms and Molecules

Atoms and Molecules
Author: Mitchel Weissbluth
Publisher: Elsevier
Total Pages: 730
Release: 2012-12-02
Genre: Science
ISBN: 032314294X

Atoms and Molecules describes the basic properties of atoms and molecules in terms of group theoretical methods in atomic and molecular physics. The book reviews mathematical concepts related to angular momentum properties, finite and continuous rotation groups, tensor operators, the Wigner-Eckart theorem, vector fields, and vector spherical harmonics. The text also explains quantum mechanics, including symmetry considerations, second quantization, density matrices, time-dependent, and time-independent approximation methods. The book explains atomic structure, particularly the Dirac equation in which its nonrelativistic approximation provides the basis for the derivation of the Hamiltonians for all important interactions, such as spin-orbit, external fields, hyperfine. Along with multielectron atoms, the text discusses multiplet theory, the Hartree-Fock formulation, as well as the electromagnetic radiation fields, their interactions with atoms in first and higher orders. The book explores molecules and complexes, including the Born-Oppenheimer approximation, molecular orbitals, the self-consistent field method, electronic states, vibrational and rotational states, molecular spectra, and the ligand field theory. The book can prove useful for graduate or advanced students and academicians in the field of general and applied physics.

Chemistry 2e

Chemistry 2e
Author: Paul Flowers
Publisher:
Total Pages: 0
Release: 2019-02-14
Genre: Chemistry
ISBN: 9781947172623

Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.

Atomic Spectra and Atomic Structure

Atomic Spectra and Atomic Structure
Author: Gerhard Herzberg
Publisher: Courier Corporation
Total Pages: 292
Release: 1944-01-01
Genre: Science
ISBN: 9780486601151

For beginners and specialists in other fields: the Nobel Laureate's introduction to atomic spectra and their relationship to atomic structures, stressing basics in a physical, rather than mathematical, treatment. 80 illustrations.

Reference Data on Atoms, Molecules, and Ions

Reference Data on Atoms, Molecules, and Ions
Author: A.A. Radzig
Publisher: Springer Science & Business Media
Total Pages: 475
Release: 2012-12-06
Genre: Science
ISBN: 3642820484

This reference book contains information about the structure and properties of atomic and molecular particles, as well as some of the nuclear parameters. It includes data which can be of use when studying atomic and molecular processes in the physics of gases, chemistry of gases and gas optics, in plasma physics and plasma chemistry, in physical chemistry and radiation chemistry, in geophysics, astrophysics, solid-state physics and a variety of cross-discipli nary fields of science and technology. Our aim was to collect carefully selected and estimated numerical values for a wide circle of microscopic parameters in a relatively "not thick" book. These values are of constant use in the work of practical investigators. In essence, the book represents a substantially revised and extended edi tion of our reference book published in Russian in 1980. Two main reasons made it necessary to rework the material. On the one hand, a great deal of new high-quality data has appeared in the past few years and furthermore we have enlisted many sources of information previously inaccessible to us. On the other hand, we have tried to insert extensive information on new, rapidly progressing branches of physical research, such as multiply charged ions, Rydberg atoms, van der Waals and excimer molecules, complex ions, etc. All this brings us to the very edge of studies being carried out in the field.

Atoms in Molecules

Atoms in Molecules
Author: Richard F. W. Bader
Publisher: Oxford University Press on Demand
Total Pages: 438
Release: 1994
Genre: Science
ISBN: 9780198558651

The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It isthe purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties ofmatter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry.

Atomic Structure

Atomic Structure
Author: Edward Uhler Condon
Publisher: CUP Archive
Total Pages: 684
Release: 1980-05-30
Genre: Science
ISBN: 9780521298933

The late Professor Condon and Halis Odabşi collaborate to produce an integrated account of the electron structure of atoms.

Atoms in Molecules

Atoms in Molecules
Author: Paul L. A. Popelier
Publisher: Longman Publishing Group
Total Pages: 0
Release: 2000
Genre: Atoms
ISBN: 9780582367982

Atoms in Molecules (AIM) is a powerful and novel theory for understanding chemistry, acting as a bridge between fundamental chemical concepts - such as the atom, the bond and molecular structure - and quantum mechanics. It is used increasingly in both theoretical and crystallographic research internationally, including its use in interpreting experimental charge densities. This book provides a balanced, consistent and didactic account of this exciting theory, explaining its potential impact and making it accessible to a wide audience.