Elementary Quantum Chemistry, Second Edition

Author: Frank L. Pilar

Publisher: Courier Corporation

ISBN: 0486143872

Category: Science

Page: 640

View: 6324

Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.

Elementary Quantum Chemistry

Author: Frank L. Pilar

Publisher: Courier Corporation

ISBN: 9780486414645

Category: Science

Page: 599

View: 8353

Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.

Quantum Mechanics, Fourth Edition

Author: Alastair I. M. Rae

Publisher: CRC Press

ISBN: 9781420052077

Category: Science

Page: 320

View: 1112

Continuing the exceptional tradition of the previous editions, Quantum Mechanics, Fourth Edition provides essential information about atomic and subatomic systems and covers some modern applications of the field. Supported by a Web page that contains a bibliography, color versions of some of the illustrations, and links to other relevant sites, the book shows how cutting-edge research topics of quantum mechanics have been applied to various disciplines. It first demonstrates how to obtain a wave equation whose solutions determine the energy levels of bound systems. The theory is then made more general and applied to a number of physical examples. Later chapters describe the connection between relativity and quantum mechanics, give some examples of how quantum mechanics has been used in information processing, and, finally, discuss the conceptual and philosophical implications of the subject. New to the Fourth Edition: A chapter on quantum information processing that includes applications to the encryption and de-encryption of coded messages A chapter on relativistic quantum mechanics and introductory quantum field theory Updated material on the conceptual foundations of quantum physics containing discussions of non-locality, hidden variables, and parallel universes Expanded information on tunneling microscopy and the Bose-Einstein condensate Presenting up-to-date information on the conceptual and philosophical aspects of quantum mechanics, this revised edition is suitable both for undergraduates studying physics, chemistry, or mathematics and for researchers involved in quantum physics.

Issues in Chemistry and General Chemical Research: 2011 Edition

Author: N.A

Publisher: ScholarlyEditions

ISBN: 1464963290

Category: Science

Page: 6580

View: 779

Issues in Chemistry and General Chemical Research: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Chemistry and General Chemical Research. The editors have built Issues in Chemistry and General Chemical Research: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chemistry and General Chemical Research in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemistry and General Chemical Research: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Issues in General Science and Scientific Theory and Method: 2011 Edition

Author: N.A

Publisher: ScholarlyEditions

ISBN: 1464963479

Category: Science

Page: 3278

View: 4048

Issues in General Science and Scientific Theory and Method: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about General Science and Scientific Theory and Method. The editors have built Issues in General Science and Scientific Theory and Method: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about General Science and Scientific Theory and Method in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in General Science and Scientific Theory and Method: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Quantum Chemistry

Author: Ira N. Levine

Publisher: Allyn & Bacon

ISBN: N.A

Category: Quantum chemistry

Page: 629

View: 5786

An introduction to quantum chemistry which covers quantum mechanics, atomic structure and molecular electronic structure. All the necessary mathematics is presented alongside the physics and chemistry, and is given sufficient detail to be accessible to those with little mathematical background.

Excited States in Quantum Chemistry

Theoretical and Experimental Aspects of the Electronic Structure and Properties of the Excited States in Atoms, Molecules and Solids

Author: D.R. Beck

Publisher: Springer Science & Business Media

ISBN: 940099902X

Category: Science

Page: 585

View: 5726

It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.

Quantum Chemistry Student Edition

Author: John Lowe

Publisher: Elsevier

ISBN: 0323144438

Category: Science

Page: 618

View: 7711

Quantum Chemistry: Student Edition emphasizes the ground state molecular orbital theory of molecules. This book contains 14 chapters that also cover some aspects of quantum mechanics theory. The opening chapters deal with some simple, but important, particle systems, allowing the introduction of many basic concepts and definitions of classical physics. The subsequent chapters consider the simple harmonic oscillator, the hydrogenlike ion, and many-electron atoms. Considerable chapters are devoted to the development of methods for performing linear variational calculations. These methods require solving a determinantal equation for its roots, and then solving a set of simultaneous homogeneous equations for coefficients. The closing chapters explore the concept and application of group theory and the qualitative molecular orbital theory. This book is of great value to organic, inorganic, and physical chemists, as well as to undergraduate or graduate chemistry students.

Reviews of Modern Quantum Chemistry

A Celebration of the Contributions of Robert G. Parr

Author: K. D. Sen

Publisher: World Scientific

ISBN: 981024889X

Category: Science

Page: 1880

View: 3640

This important book collects together state?of?the?art reviews of diverse topics covering almost all the major areas of modern quantum chemistry. The current focus in the discipline of chemistry ? synthesis, structure, reactivity and dynamics ? is mainly on control. A variety of essential computational tools at the disposal of chemists have emerged from recent studies in quantum chemistry. The acceptance and application of these tools in the interfacial disciplines of the life and physical sciences continue to grow. The new era of modern quantum chemistry throws up promising potentialities for further research.Reviews of Modern Quantum Chemistry is a joint endeavor, in which renowned scientists from leading universities and research laboratories spanning 22 countries present 59 in?depth reviews. Along with a personal introduction written by Professor Walter Kohn, Nobel laureate (Chemistry, 1998), the articles celebrate the scientific contributions of Professor Robert G Parr on the occasion of his 80th birthday.List of Contributors: W Kohn, M Levy, R Pariser, B R Judd, E Lo, B N Plakhutin, A Savin, P Politzer, P Lane, J S Murray, A J Thakkar, S R Gadre, R F Nalewajski, K Jug, M Randic, G Del Re, U Kaldor, E Eliav, A Landau, M Ehara, M Ishida, K Toyota, H Nakatsuji, G Maroulis, A M Mebel, S Mahapatra, R Carb¢?Dorca, ? Nagy, I A Howard, N H March, S?B Liu, R G Pearson, N Watanabe, S Ten?no, S Iwata, Y Udagawa, E Valderrama, X Fradera, I Silanes, J M Ugalde, R J Boyd, E V Lude¤a, V V Karasiev, L Massa, T Tsuneda, K Hirao, J-M Tao, J P Perdew, O V Gritsenko, M Grning, E J Baerends, F Aparicio, J Garza, A Cedillo, M Galv n, R Vargas, E Engel, A H”ck, R N Schmid, R M Dreizler, J Poater, M Sol , M Duran, J Robles, X Fradera, P K Chattaraj, A Poddar, B Maiti, A Cedillo, S Guti‚rrez?Oliva, P Jaque, A Toro?Labb‚, H Chermette, P Boulet, S Portmann, P Fuentealba, R Contreras, P Geerlings, F De Proft, R Balawender, D P Chong, A Vela, G Merino, F Kootstra, P L de Boeij, R van Leeuwen, J G Snijders, N T Maitra, K Burke, H Appel, E K U Gross, M K Harbola, H F Hameka, C A Daul, I Ciofini, A Bencini, S K Ghosh, A Tachibana, J M Cabrera?Trujillo, F Tenorio, O Mayorga, M Cases, V Kumar, Y Kawazoe, A M K”ster, P Calaminici, Z G¢mez, U Reveles, J A Alonso, L M Molina, M J L¢pez, F Dugue, A Ma¤anes, C A Fahlstrom, J A Nichols, D A Dixon, P A Derosa, A G Zacarias, J M Seminario, D G Kanhere, A Vichare, S A Blundell, Z?Y Lu, H?Y Liu, M Elstner, W?T Yang, J Mu¤oz, X Fradera, M Orozco, F J Luque, P Tarakeshwar, H M Lee, K S Kim, M Valiev, E J Bylaska, A Gramada, J H Weare, J Brickmann, M Keil, T E Exner, M Hoffmann & J Rychlewski.

Quantum Mechanics, Second edition

Author: Paul C.W. Davies

Publisher: Routledge

ISBN: 1351420402

Category: Science

Page: 178

View: 705

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.

Introduction to Computational Chemistry

Author: Frank Jensen

Publisher: John Wiley & Sons

ISBN: 1118825950

Category: Science

Page: 664

View: 1813

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

Molekülphysik und Quantenchemie

Einführung in die experimentellen und theoretischen Grundlagen

Author: Hermann Haken,Hans C. Wolf

Publisher: Springer-Verlag

ISBN: 3662088320

Category: Science

Page: 416

View: 9054

Dieses Lehrbuch wendet sich an Studenten der Physik, der Physikalischen Chemie und der Theoretischen Chemie. Aufbauend auf Grundkenntnissen der Atom- und Quantenphysik vemitteln die Autoren den Stoff, der zum Grundwissen eines jeden Physikstudenten gehört. Für den Studenten der Chemie bedeuten die in diesem Buch vorgestellten Konzepte das theoretische Grundgerüst für sein Fachgebiet. Dieses Gerüst befähigt ihn, den ungeheuren Erfahrungsschatz der Chemie auf wenige Prinzipien, nämlich die der Quantentheorie, zurückzuführen. Zwei untrennbar miteinander verknüpfte Themenbereiche werden behandelt: die chemische Bindung und die physikalischen Eigenschaften der Moleküle. Erstmals behandelt ein Lehrbuch die Molekülphysik und Quantenchemie in dieser Kombination mit der Zielsetzung, das Grundlegende und Typische herauszuarbeiten, und so dem Studenten einen Überblick über dieses so wichtige und reizvolle Gebiet zu vermitteln. Darüber hinaus vermittelt das Buch Ausblicke auf neue Entwicklungen, etwa die Erforschung der Photosynthese, die Physik supramolekularer Funktionseinheiten und die molekulare Mikroelektronik.

Principles and Applications of Quantum Chemistry

Author: V.P. Gupta

Publisher: Academic Press

ISBN: 0128035013

Category: Science

Page: 478

View: 6797

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools

Aminobenzoic Acids—Advances in Research and Application: 2012 Edition

ScholarlyPaper

Author: N.A

Publisher: ScholarlyEditions

ISBN: 1481629999

Category: Science

Page: 23

View: 4154

Aminobenzoic Acids—Advances in Research and Application: 2012 Edition is a ScholarlyPaper™ that delivers timely, authoritative, and intensively focused information about Aminobenzoic Acids in a compact format. The editors have built Aminobenzoic Acids—Advances in Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Aminobenzoic Acids in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Aminobenzoic Acids—Advances in Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Phenylpropionates—Advances in Research and Application: 2012 Edition

Author: N.A

Publisher: ScholarlyEditions

ISBN: 1481601229

Category: Science

Page: 129

View: 7334

Phenylpropionates—Advances in Research and Application: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Phenylpropionates. The editors have built Phenylpropionates—Advances in Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Phenylpropionates in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Phenylpropionates—Advances in Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Quantum chemistry and spectroscopy

Author: Thomas Engel,Warren J. Hehre

Publisher: Pearson College Div

ISBN: N.A

Category: Science

Page: 489

View: 906

This full-color, modern physical chemistry reference offers compelling applications and arresting illustrations that capture readers'attention and demonstrate the dynamic nature of the subject. The authors focus on core topics of physical chemistry, presented within a modern framework of applications. Modern applications are drawn from biology, environmental science, and material science. Spectroscopy applications are introduced early in concert with theory; for example, IR and rotational spectroscopy are discussed immediately after the harmonic oscillator and the rigid rotar. Modern research is featured throughout, along with new developments in the field such as scanning tunneling microscopy, bandgap engineering, quantum wells, teleportation, and quantum computing. From Classical to Quantum Mechanics; The Schrödinger Equation; The Quantum Mechanical Postulates; Using Quantum Mechanics on Simple Systems; The Particle in the Box and the Real World; Commuting and Noncommuting Operators and the Surprising Consequences; A Quantum Mechanical Model for the Vibration and Rotation of Mole; The Vibrational and Rotational Spectroscopy of Diatomic Molecules; The Hydrogen Atom; Many-Electron Atoms; Quantum States for Many-electron Atoms and Atomic Spectroscopy; The Chemical Bond in Diatomic Molecules; Molecular Structure and Energy Levels for Polyatomic Molecules; Electronic Spectroscopy; Computational Chemistry; Molecular Symmetry; Nuclear Magnetic Resonance Spectroscopy. A useful reference for chemistry professionals.

New Horizons of Quantum Chemistry

Proceedings of the Fourth International Congress of Quantum Chemistry Held at Uppsala, Sweden, June 14–19, 1982

Author: P.-O. Löwdin,A. Pullman

Publisher: Springer Science & Business Media

ISBN: 9789027715265

Category: Science

Page: 457

View: 5170

The Fourth International Congress in Quantum Chemistry under the auspices of the International Academy of Molecular Quantum Science in Menton, France was arranged at Uppsala University, Uppsala, Sweden, during the period June 14 - 19, 1982, in close collaboration with the University of Florida. The previous congresses were held in Menton 1973, New Orleans 1976, and Kyoto 1979, and the 1985 congress is tentatively planned to be held in the province of Quebec, Canada. The Congress consisted of six symposia in various areas of quantum chemistry, solid-state theory, and quantum bi ology. The meeting was attended by about 450 scientists from 45 different nations, and a total of more than 300 scientific papers were presented. Even the poster contri butions were given some plenary time. These proceedings contain the text of the plenary lec tures as well as the chairmen's introductions, whereas the contributed papers will be published in the International Journal of Quantum Chemistry, (John Wiley & Sons, New York) in the regular January - April 1983 issues.