Electronic Structure Of Quantum Confined Atoms And Molecules

Author : K.D. Sen
Publisher : Springer
ISBN 13 : 3319099825
Total Pages : 253 pages
Book Rating : 4.28/5 ( download)

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Download or read book Electronic Structure of Quantum Confined Atoms and Molecules written by K.D. Sen and published by Springer. This book was released on 2014-09-19 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume is a collection of review articles highlighting the fundamental advances made in this area by the internationally acclaimed research groups , most of them being pioneers themselves and coming together for the first time.

Author : Richard F. W. Bader
Publisher :
ISBN 13 : 9780772003294
Total Pages : 240 pages
Book Rating : 4.97/5 ( download)

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Download or read book An Introduction to the Electronic Structure of Atoms and Molecules written by Richard F. W. Bader and published by . This book was released on 1970 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: For the beginning student of chemistry without the necessary mathematical background for a rigorous study of quantum mechanics.

Author : Henry F. Schaefer
Publisher :
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.27/5 ( download)

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Download or read book The Electronic Structure of Atoms and Molecules written by Henry F. Schaefer and published by . This book was released on 1972 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Henry F. Schaefer III
Publisher : Courier Corporation
ISBN 13 : 0486151417
Total Pages : 176 pages
Book Rating : 4.10/5 ( download)

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Download or read book Quantum Chemistry written by Henry F. Schaefer III and published by Courier Corporation. This book was released on 2012-11-14 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: For each of 150 landmark papers in ab initio molecular electronic structure methods, the author provides a lucid commentary that focuses on methodology, rather than particular chemical problems. 1984 edition.

Author :
Publisher : Academic Press
ISBN 13 : 0128161752
Total Pages : 360 pages
Book Rating : 4.53/5 ( download)

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Download or read book State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More written by and published by Academic Press. This book was released on 2019-09-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances in Quantum Chemistry series, presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. Chapters in this new release include Computing accurate molecular properties in real space using multiresolution analysis, Self-consistent electron-nucleus cusp correction for molecular orbitals, Correlated methods for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and much more. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers

Author : Douglas Henderson
Publisher :
ISBN 13 :
Total Pages : 640 pages
Book Rating : 4.15/5 ( download)

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Download or read book Electronic Structure of Atoms and Molecules written by Douglas Henderson and published by . This book was released on 1969 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Wolfgang Schattke
Publisher : John Wiley & Sons
ISBN 13 : 3527675329
Total Pages : 308 pages
Book Rating : 4.26/5 ( download)

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Download or read book Quantum Monte-Carlo Programming written by Wolfgang Schattke and published by John Wiley & Sons. This book was released on 2013-08-30 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum Monte Carlo is a large class of computer algorithms that simulate quantum systems to solve many body systems in order to investigate the electronic structure of many-body systems. This book presents a numeric approach to determine the electronic structure of atoms, molecules and solids. Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum-Monte-Carlo (VQMC) scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. Several intermediate steps cover the Hydrogen molecule, how to deal with a two electron systems, going over to three electrons, and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal. The exmples in the field of VQMC are followed by the subject of diffusion Monte-Calro (DMC) which covers a common example, the harmonic ascillator. The book is unique as it provides both theory and numerical programs. It includes rather practical advices to do what is usually described in a theoretical textbook, and presents in more detail the physical understanding of what the manual of a code usually promises as result. Detailed derivations can be found at the appendix, and the references are chosen with respect to their use for specifying details or getting an deeper understanding . The authors address an introductory readership in condensed matter physics, computational phyiscs, chemistry and materials science. As the text is intended to open the reader's view towards various possibilities of choices of computing schemes connected with the method of QMC, it might also become a welcome literature for researchers who would like to know more about QMC methods. The book is accompanied with a collection of programs, routines, and data. To download the codes, please follow http://www.wiley-vch.de/books/sample/3527408517_codes.tar.gz

Author :
Publisher : Academic Press
ISBN 13 : 0128028688
Total Pages : 398 pages
Book Rating : 4.81/5 ( download)

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Download or read book Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part A written by and published by Academic Press. This book was released on 2015-08-06 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents a series of articles concerning current important topics in quantum chemistry. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology Features detailed reviews written by leading international researchers

Author : Robert G. Parr
Publisher :
ISBN 13 :
Total Pages : 536 pages
Book Rating : 4.67/5 ( download)

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Download or read book The Quantum Theory of Molecular Electronic Structure written by Robert G. Parr and published by . This book was released on 1963 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : David B. Cook
Publisher : Imperial College Press
ISBN 13 : 1848162650
Total Pages : 276 pages
Book Rating : 4.55/5 ( download)

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Download or read book Quantum Chemistry written by David B. Cook and published by Imperial College Press. This book was released on 2008 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.