Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry PDF Author: Philip E. Hoggan
Publisher: Academic Press
ISBN: 0128006633
Category : Science
Languages : en
Pages : 337

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Book Description
Advances 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. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. - Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry PDF Author: Philip E. Hoggan
Publisher: Academic Press
ISBN: 0128006633
Category : Science
Languages : en
Pages : 337

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Book Description
Advances 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. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. - Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems PDF Author:
Publisher: Academic Press
ISBN: 0128130032
Category : Science
Languages : en
Pages : 376

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Book Description
Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics. Topics covered in this release include the Present Status of Selected Configuration Interaction with Truncation Energy Error, Recent Developments in Asymptotic Expansions from Numerical Analysis and Approximation Theory, The kinetic energy Pauli enhancement factor and its role in determining the shell structure of atoms and molecules, Numerical Hartree-Fock and Many-Body Calculations for Diatomic Molecules, and more. - Provides reports on current work in molecular and atomic quantum mechanics - Contains work reported by many of the best scientists in the field - Presents the latest release in the Advances in Quantum Chemistry series

Approximation Theory XVI

Approximation Theory XVI PDF Author: Gregory E. Fasshauer
Publisher: Springer Nature
ISBN: 3030574644
Category : Mathematics
Languages : en
Pages : 256

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Book Description
These proceedings are based on the international conference Approximation Theory XVI held on May 19–22, 2019 in Nashville, Tennessee. The conference was the sixteenth in a series of meetings in Approximation Theory held at various locations in the United States. Over 130 mathematicians from 20 countries attended. The book contains two longer survey papers on nonstationary subdivision and Prony’s method, along with 11 research papers on a variety of topics in approximation theory, including Balian-Low theorems, butterfly spline interpolation, cubature rules, Hankel and Toeplitz matrices, phase retrieval, positive definite kernels, quasi-interpolation operators, stochastic collocation, the gradient conjecture, time-variant systems, and trivariate finite elements. The book should be of interest to mathematicians, engineers, and computer scientists working in approximation theory, computer-aided geometric design, numerical analysis, and related approximation areas.

Polish Quantum Chemistry from Kołos to Now

Polish Quantum Chemistry from Kołos to Now PDF Author: Monika Musial
Publisher: Elsevier
ISBN: 0443185956
Category : Science
Languages : en
Pages : 438

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Book Description
Polish Quantum Chemistry from Kolos to Now, Volume 87 provides a survey of contributions coauthored by Polish scientists working in Poland, and in European and American Universities. Sections in this release include Review: From the Kolos-Wolniewicz calculations to the quantum-electrodynamic treatment of the hydrogen molecule: competition between theory and experiment, Review: How to make symmetry-adapted perturbation theory more accurate, Review: Advanced models of coupled cluster theory for the ground, excited and ionized states, Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with the help of Monte Carlo and selected configuration interaction, and more. Additional chapters cover Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different real-time time-dependent configuration interaction approaches, Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, and much more. - Updates on the latest developments and performance of SAPT - Presents key theory and applications of high precision calculations for few electron systems - Includes discussions on the development and applications of the DFT approach

Advances in Energy Science and Equipment Engineering II Volume 2

Advances in Energy Science and Equipment Engineering II Volume 2 PDF Author: Shiquan Zhou
Publisher: CRC Press
ISBN: 135164842X
Category : Science
Languages : en
Pages : 1379

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Book Description
The 2016 2nd International Conference on Energy Equipment Science and Engineering (ICEESE 2016) was held on November 12-14, 2016 in Guangzhou, China. ICEESE 2016 brought together innovative academics and industrial experts in the field of energy equipment science and engineering to a common forum. The primary goal of the conference is to promote research and developmental activities in energy equipment science and engineering and another goal is to promote scientific information interchange between researchers, developers, engineers, students, and practitioners working all around the world. The conference will be held every year to make it an ideal platform for people to share views and experiences in energy equipment science and engineering and related areas. This second volume of the two-volume set of proceedings covers the field of Structural and Materials Sciences, and Computer Simulation & Computer and Electrical Engineering.

Electronic Structure of Organic Semiconductors

Electronic Structure of Organic Semiconductors PDF Author: Luís Alcácer
Publisher: Morgan & Claypool Publishers
ISBN: 1643271687
Category : Technology & Engineering
Languages : en
Pages : 135

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Book Description
Written in the perspective of an experimental chemist, this book puts together some fundamentals from chemistry, solid state physics and quantum chemistry, to help with understanding and predicting the electronic and optical properties of organic semiconductors, both polymers and small molecules. The text is intended to assist graduate students and researchers in the field of organic electronics to use theory to design more efficient materials for organic electronic devices such as organic solar cells, light emitting diodes and field effect transistors. After addressing some basic topics in solid state physics, a comprehensive introduction to molecular orbitals and band theory leads to a description of computational methods based on Hartree-Fock and density functional theory (DFT), for predicting geometry conformations, frontier levels and energy band structures. Topological defects and transport and optical properties are then addressed, and one of the most commonly used transparent conducting polymers, PEDOT:PSS, is described in some detail as a case study.

Electron Correlations and Materials Properties

Electron Correlations and Materials Properties PDF Author: A. Gonis
Publisher: Springer Science & Business Media
ISBN: 1461547156
Category : Technology & Engineering
Languages : en
Pages : 545

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Book Description
This volume, the proceedings of a 1998 international workshop, provides experimental evidence of the effects of correlation on the physical, chemical, and mechanical properties of materials, as well as the theoretical/computational methodology that has been developed for their study.

Encyclopedia of Bioinformatics and Computational Biology

Encyclopedia of Bioinformatics and Computational Biology PDF Author:
Publisher: Elsevier
ISBN: 0128114320
Category : Medical
Languages : en
Pages : 3421

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Book Description
Encyclopedia of Bioinformatics and Computational Biology: ABC of Bioinformatics, Three Volume Set combines elements of computer science, information technology, mathematics, statistics and biotechnology, providing the methodology and in silico solutions to mine biological data and processes. The book covers Theory, Topics and Applications, with a special focus on Integrative –omics and Systems Biology. The theoretical, methodological underpinnings of BCB, including phylogeny are covered, as are more current areas of focus, such as translational bioinformatics, cheminformatics, and environmental informatics. Finally, Applications provide guidance for commonly asked questions. This major reference work spans basic and cutting-edge methodologies authored by leaders in the field, providing an invaluable resource for students, scientists, professionals in research institutes, and a broad swath of researchers in biotechnology and the biomedical and pharmaceutical industries. Brings together information from computer science, information technology, mathematics, statistics and biotechnology Written and reviewed by leading experts in the field, providing a unique and authoritative resource Focuses on the main theoretical and methodological concepts before expanding on specific topics and applications Includes interactive images, multimedia tools and crosslinking to further resources and databases

Micromachining Techniques for Fabrication of Micro and Nano Structures

Micromachining Techniques for Fabrication of Micro and Nano Structures PDF Author: Mojtaba Kahrizi
Publisher: BoD – Books on Demand
ISBN: 9533079061
Category : Science
Languages : en
Pages : 316

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Book Description
Micromachining is used to fabricate three-dimensional microstructures and it is the foundation of a technology called Micro-Electro-Mechanical-Systems (MEMS). Bulk micromachining and surface micromachining are two major categories (among others) in this field. This book presents advances in micromachining technology. For this, we have gathered review articles related to various techniques and methods of micro/nano fabrications, like focused ion beams, laser ablation, and several other specialized techniques, from esteemed researchers and scientists around the world. Each chapter gives a complete description of a specific micromachining method, design, associate analytical works, experimental set-up, and the final fabricated devices, followed by many references related to this field of research available in other literature. Due to the multidisciplinary nature of this technology, the collection of articles presented here can be used by scientists and researchers in the disciplines of engineering, materials sciences, physics, and chemistry.

Metal-Ligand Interactions in Chemistry, Physics and Biology

Metal-Ligand Interactions in Chemistry, Physics and Biology PDF Author: N. Russo
Publisher: Springer Science & Business Media
ISBN: 9401142459
Category : Science
Languages : en
Pages : 459

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Book Description
Proceedings of the NATO Advanced Study Institute, held in Cetraro (CS) Italy, from 1-12 September 1998