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Link de la búsqueda8th Congress on Electronic Structure: Principles and Applications (ESPA 2012) / SpringerLink (Online service) ; Juan J. Novoa ; Manuel F. Ruiz López (2014)
Título : 8th Congress on Electronic Structure: Principles and Applications (ESPA 2012) : A Conference Selection from Theoretical Chemistry Accounts Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Juan J. Novoa ; Manuel F. Ruiz López Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2014 Otro editor: Imprint: Springer Colección: Highlights in Theoretical Chemistry, ISSN 2194-8666 num. 5 Número de páginas: VI, 230 p. 137 illus., 20 illus. in color Il.: online resource ISBN/ISSN/DL: 978-3-642-41272-1 Idioma : Inglés (eng) Palabras clave: Chemistry Chemistry, Physical and theoretical Atoms Physics Materials science Theoretical Computational Atomic, Molecular, Optical Plasma Characterization Evaluation of Clasificación: 658 Empresas. Organización de empresas Resumen: This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal Nota de contenido: From the Contents: Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces -- First-principles study of structure and stability in Si–C–O-based materials -- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein -- Preface to the ESPA-2012 special issue En línea: http://dx.doi.org/10.1007/978-3-642-41272-1 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36173 8th Congress on Electronic Structure: Principles and Applications (ESPA 2012) : A Conference Selection from Theoretical Chemistry Accounts [documento electrónico] / SpringerLink (Online service) ; Juan J. Novoa ; Manuel F. Ruiz López . - Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014 . - VI, 230 p. 137 illus., 20 illus. in color : online resource. - (Highlights in Theoretical Chemistry, ISSN 2194-8666; 5) .
ISBN : 978-3-642-41272-1
Idioma : Inglés (eng)
Palabras clave: Chemistry Chemistry, Physical and theoretical Atoms Physics Materials science Theoretical Computational Atomic, Molecular, Optical Plasma Characterization Evaluation of Clasificación: 658 Empresas. Organización de empresas Resumen: This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal Nota de contenido: From the Contents: Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces -- First-principles study of structure and stability in Si–C–O-based materials -- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein -- Preface to the ESPA-2012 special issue En línea: http://dx.doi.org/10.1007/978-3-642-41272-1 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36173 Ejemplares
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Título : Design Patterns for e-Science Tipo de documento: documento electrónico Autores: Henry Gardner ; SpringerLink (Online service) ; Gabriele Manduchi ; Timothy J. Barth ; Michael Griebel ; David E. Keyes ; Risto M. Nieminen ; Dirk Roose ; Schlick, Tamar Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2007 Colección: Texts in Computational Science, ISSN 1611-0994 num. 4 Número de páginas: XX, 388 p Il.: online resource ISBN/ISSN/DL: 978-3-540-68090-1 Idioma : Inglés (eng) Palabras clave: Computer science Computers mathematics Atoms Physics Matter Plasma (Ionized gases) Applied Engineering Electronics Microelectronics Science Theory of Computation and Microelectronics, Instrumentation Computational Appl.Mathematics/Computational Methods Molecules in Strong Fields, Laser Interaction Clasificación: 51 Matemáticas Resumen: This is a book about a code and about coding. The code is a case study which has been used to teachcourses in e-Science atthe Australian NationalUniv- sity since 2001. Students learn advanced programming skills and techniques TM in the Java language. Above all, they learn to apply useful object-oriented design patterns as they progressively refactor and enhance the software. We think our case study,EScope, is as close to real life as you can get! It is a smaller version of a networked, graphical, waveform browser which is used in the control rooms of fusion energy experiments around the world. It is quintessential “e-Science” in the sense of e-Science being “computer science and information technology in the service of science”. It is not, speci?cally, “Grid-enabled”, but we develop it in a way that will facilitate its deployment onto the Grid. The standard version ofEScope interfaces with a specialised database for waveforms, and related data, known asMDSplus. On the acc- panying CD, we have provided you with software which will enable you to installMDSplus,EScope and sample data ?les onto Windows or Linux c- puters. There is much additional software including many versions of the case study as it gets built up and progressively refactored using design patterns. There will be a home web-site for this book which will contain up-to-date information about the software and other aspects of the case study Nota de contenido: Construction of a Waveform Browser -- e-Science and EScope -- A Java Client for MDSplus -- Graphical User Interfaces Using Swing -- Waveform Graphics -- Interactive Graphics Using Mouse Events -- Navigating the Database -- Refactoring EScope with Design Patterns -- Object-Oriented Analysis and Design -- First Facades -- Adapter -- The Template Pattern -- Decorator -- Patterns at Work: Multiple Waves -- Patterns at Work: Multiple Graphs -- Observer -- Proxy -- State -- Factory Patterns -- Chain of Responsibility -- Design Patterns and Threads -- Postscript En línea: http://dx.doi.org/10.1007/3-540-68090-X Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=34648 Design Patterns for e-Science [documento electrónico] / Henry Gardner ; SpringerLink (Online service) ; Gabriele Manduchi ; Timothy J. Barth ; Michael Griebel ; David E. Keyes ; Risto M. Nieminen ; Dirk Roose ; Schlick, Tamar . - Berlin, Heidelberg : Springer Berlin Heidelberg, 2007 . - XX, 388 p : online resource. - (Texts in Computational Science, ISSN 1611-0994; 4) .
ISBN : 978-3-540-68090-1
Idioma : Inglés (eng)
Palabras clave: Computer science Computers mathematics Atoms Physics Matter Plasma (Ionized gases) Applied Engineering Electronics Microelectronics Science Theory of Computation and Microelectronics, Instrumentation Computational Appl.Mathematics/Computational Methods Molecules in Strong Fields, Laser Interaction Clasificación: 51 Matemáticas Resumen: This is a book about a code and about coding. The code is a case study which has been used to teachcourses in e-Science atthe Australian NationalUniv- sity since 2001. Students learn advanced programming skills and techniques TM in the Java language. Above all, they learn to apply useful object-oriented design patterns as they progressively refactor and enhance the software. We think our case study,EScope, is as close to real life as you can get! It is a smaller version of a networked, graphical, waveform browser which is used in the control rooms of fusion energy experiments around the world. It is quintessential “e-Science” in the sense of e-Science being “computer science and information technology in the service of science”. It is not, speci?cally, “Grid-enabled”, but we develop it in a way that will facilitate its deployment onto the Grid. The standard version ofEScope interfaces with a specialised database for waveforms, and related data, known asMDSplus. On the acc- panying CD, we have provided you with software which will enable you to installMDSplus,EScope and sample data ?les onto Windows or Linux c- puters. There is much additional software including many versions of the case study as it gets built up and progressively refactored using design patterns. There will be a home web-site for this book which will contain up-to-date information about the software and other aspects of the case study Nota de contenido: Construction of a Waveform Browser -- e-Science and EScope -- A Java Client for MDSplus -- Graphical User Interfaces Using Swing -- Waveform Graphics -- Interactive Graphics Using Mouse Events -- Navigating the Database -- Refactoring EScope with Design Patterns -- Object-Oriented Analysis and Design -- First Facades -- Adapter -- The Template Pattern -- Decorator -- Patterns at Work: Multiple Waves -- Patterns at Work: Multiple Graphs -- Observer -- Proxy -- State -- Factory Patterns -- Chain of Responsibility -- Design Patterns and Threads -- Postscript En línea: http://dx.doi.org/10.1007/3-540-68090-X Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=34648 Ejemplares
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Título : Linearity, Symmetry, and Prediction in the Hydrogen Atom Tipo de documento: documento electrónico Autores: Stephanie Frank Singer ; SpringerLink (Online service) Editorial: New York, NY : Springer New York Fecha de publicación: 2005 Colección: Undergraduate Texts in Mathematics, ISSN 0172-6056 Número de páginas: XIV, 398 p. 50 illus Il.: online resource ISBN/ISSN/DL: 978-0-387-26369-4 Idioma : Inglés (eng) Palabras clave: Physics Group theory Applied mathematics Engineering Mechanics Elementary particles (Physics) Quantum field Atoms Atomic, Molecular, Optical and Plasma Particles, Field Theory Generalizations Mathematical Methods in Applications of Mathematics Clasificación: 51 Matemáticas Resumen: This is a textbook for a senior-level undergraduate course for math, physics and chemistry majors. This one course can play two different but complimentary roles: it can serve as a capstone course for students finishing their education, and it can serve as motivating story for future study of mathematics. Some textbooks are like a vigorous regular physical training program, preparing people for a wide range of challenges by honing their basic skills thoroughly. Some are like a series of day hikes. This book is more like an intended trek to a particularly beautiful goal. We’ll take the easiest route to the top, and we’ll stop to appreciate local flora as well as distant peaks worthy of the vigorous training one would need to scale them. Advice to the Student: This book was written with many different readers in mind. Some will be mathematics students interested to see a beautiful and powerful application of a “pure” mathematical subject. Some will be students of physics and chemistry curious about the mathematics behind some tools they use, such as spherical harmonics. Because the readership is so varied, no single reader should be put off by occasional digressions aimed at certain other readers Nota de contenido: Setting the Stage -- Linear Algebra over the Complex Numbers -- Complex Scalar Product Spaces (a.k.a. Hilbert Spaces) -- Lie Groups and Lie Group Representations -- New Representations from Old -- Irreducible Representations and Invariant Integration -- Representations and the Hydrogen Atom -- The Algebra so(4) Symmetry of the Hydrogen Atom -- The Group SO(4) Symmetry of the Hydrogen Atom -- Projective Representations and Spin -- Independent Events and Tensor Products En línea: http://dx.doi.org/10.1007/b136359 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=35098 Linearity, Symmetry, and Prediction in the Hydrogen Atom [documento electrónico] / Stephanie Frank Singer ; SpringerLink (Online service) . - New York, NY : Springer New York, 2005 . - XIV, 398 p. 50 illus : online resource. - (Undergraduate Texts in Mathematics, ISSN 0172-6056) .
ISBN : 978-0-387-26369-4
Idioma : Inglés (eng)
Palabras clave: Physics Group theory Applied mathematics Engineering Mechanics Elementary particles (Physics) Quantum field Atoms Atomic, Molecular, Optical and Plasma Particles, Field Theory Generalizations Mathematical Methods in Applications of Mathematics Clasificación: 51 Matemáticas Resumen: This is a textbook for a senior-level undergraduate course for math, physics and chemistry majors. This one course can play two different but complimentary roles: it can serve as a capstone course for students finishing their education, and it can serve as motivating story for future study of mathematics. Some textbooks are like a vigorous regular physical training program, preparing people for a wide range of challenges by honing their basic skills thoroughly. Some are like a series of day hikes. This book is more like an intended trek to a particularly beautiful goal. We’ll take the easiest route to the top, and we’ll stop to appreciate local flora as well as distant peaks worthy of the vigorous training one would need to scale them. Advice to the Student: This book was written with many different readers in mind. Some will be mathematics students interested to see a beautiful and powerful application of a “pure” mathematical subject. Some will be students of physics and chemistry curious about the mathematics behind some tools they use, such as spherical harmonics. Because the readership is so varied, no single reader should be put off by occasional digressions aimed at certain other readers Nota de contenido: Setting the Stage -- Linear Algebra over the Complex Numbers -- Complex Scalar Product Spaces (a.k.a. Hilbert Spaces) -- Lie Groups and Lie Group Representations -- New Representations from Old -- Irreducible Representations and Invariant Integration -- Representations and the Hydrogen Atom -- The Algebra so(4) Symmetry of the Hydrogen Atom -- The Group SO(4) Symmetry of the Hydrogen Atom -- Projective Representations and Spin -- Independent Events and Tensor Products En línea: http://dx.doi.org/10.1007/b136359 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=35098 Ejemplares
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Título : Quantum Dynamics with Trajectories : Introduction to Quantum Hydrodynamics Tipo de documento: documento electrónico Autores: Robert E. Wyatt ; SpringerLink (Online service) Editorial: New York, NY : Springer New York Fecha de publicación: 2005 Colección: Interdisciplinary Applied Mathematics, ISSN 0939-6047 num. 28 Número de páginas: XXII, 408 p Il.: online resource ISBN/ISSN/DL: 978-0-387-28145-2 Idioma : Inglés (eng) Palabras clave: Mathematics Physical chemistry Computer mathematics Quantum physics Fluids Atoms Physics Fluid mechanics Computational and Numerical Analysis Atomic, Molecular, Optical Plasma Fluid- Aerodynamics Chemistry Engineering Dynamics Clasificación: 51 Matemáticas Resumen: Remarkable progress has recently been made in the application of quantumtrajectories as the computational tool for solving quantum mechanical problems. This is the first book to present these developments in the broader context of the hydrodynamical formulation of quantum dynamics. In addition to a thorough discussion of the quantum trajectory equations of motion, there is considerable material that deals with phase space dynamics, adaptive moving grids, electronic energy transfer, and trajectories for stationary states. On the pedagogical side, a number of sections of this book will be accessible to students who have had an introductory quantum mechanics course. There is also considerable material for advanced researchers, and chapters in the book cover both methodology and applications. The book will be useful to students and researchers in physics, chemistry, applied math, and computational dynamics. "This excellent book covers a wide range of topics associated with Quantum Hydrodynamics. It's an excellent survey of the history, current state-of-the-field, and future research directions." Brian Kendrick,Theoretical Division, Los Alamos National Laboratory, Los Alamos,NM, USA The book is unique in that it addresses with equal expertise, computational methodology and theoretical connections at the interface between de Broglie-Bohm theory and phase space moment methods.A highly didactic text, to be recommended to graduate students and researchers in physics and chemistry. Irene Burghardt,Departement de chimie, Ecole Normale Superieure, Paris, France Wyatt shows how one can use the ideas drawn from Bohm's interpretation to develop new and efficient computational methods for both time dependent and time independent quantum mechanics.This is THE definitive text on practical Bohmian mechanics. Eric Bittner,Department of Chemistry, University of Houston, Tx, USA Nota de contenido: to Quantum Trajectories -- The Bohmian Route to the Hydrodynamic Equations -- The Phase Space Route to the Hydrodynamic Equations -- The Dynamics and Properties of Quantum Trajectories -- Function and Derivative Approximation on Unstructured Grids -- Applications of the Quantum Trajectory Method -- Adaptive Methods for Trajectory Dynamics -- Quantum Trajectories for Multidimensional Dynamics -- Approximations to the Quantum Force -- Derivative Propagation Along Quantum Trajectories -- Quantum Trajectories in Phase Space -- Mixed Quantum-Classical Dynamics -- Topics in Quantum Hydrodynamics: The Stress Tensor and Vorticity -- Quantum Trajectories for Stationary States -- Challenges and Opportunities En línea: http://dx.doi.org/10.1007/0-387-28145-2 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=35137 Quantum Dynamics with Trajectories : Introduction to Quantum Hydrodynamics [documento electrónico] / Robert E. Wyatt ; SpringerLink (Online service) . - New York, NY : Springer New York, 2005 . - XXII, 408 p : online resource. - (Interdisciplinary Applied Mathematics, ISSN 0939-6047; 28) .
ISBN : 978-0-387-28145-2
Idioma : Inglés (eng)
Palabras clave: Mathematics Physical chemistry Computer mathematics Quantum physics Fluids Atoms Physics Fluid mechanics Computational and Numerical Analysis Atomic, Molecular, Optical Plasma Fluid- Aerodynamics Chemistry Engineering Dynamics Clasificación: 51 Matemáticas Resumen: Remarkable progress has recently been made in the application of quantumtrajectories as the computational tool for solving quantum mechanical problems. This is the first book to present these developments in the broader context of the hydrodynamical formulation of quantum dynamics. In addition to a thorough discussion of the quantum trajectory equations of motion, there is considerable material that deals with phase space dynamics, adaptive moving grids, electronic energy transfer, and trajectories for stationary states. On the pedagogical side, a number of sections of this book will be accessible to students who have had an introductory quantum mechanics course. There is also considerable material for advanced researchers, and chapters in the book cover both methodology and applications. The book will be useful to students and researchers in physics, chemistry, applied math, and computational dynamics. "This excellent book covers a wide range of topics associated with Quantum Hydrodynamics. It's an excellent survey of the history, current state-of-the-field, and future research directions." Brian Kendrick,Theoretical Division, Los Alamos National Laboratory, Los Alamos,NM, USA The book is unique in that it addresses with equal expertise, computational methodology and theoretical connections at the interface between de Broglie-Bohm theory and phase space moment methods.A highly didactic text, to be recommended to graduate students and researchers in physics and chemistry. Irene Burghardt,Departement de chimie, Ecole Normale Superieure, Paris, France Wyatt shows how one can use the ideas drawn from Bohm's interpretation to develop new and efficient computational methods for both time dependent and time independent quantum mechanics.This is THE definitive text on practical Bohmian mechanics. Eric Bittner,Department of Chemistry, University of Houston, Tx, USA Nota de contenido: to Quantum Trajectories -- The Bohmian Route to the Hydrodynamic Equations -- The Phase Space Route to the Hydrodynamic Equations -- The Dynamics and Properties of Quantum Trajectories -- Function and Derivative Approximation on Unstructured Grids -- Applications of the Quantum Trajectory Method -- Adaptive Methods for Trajectory Dynamics -- Quantum Trajectories for Multidimensional Dynamics -- Approximations to the Quantum Force -- Derivative Propagation Along Quantum Trajectories -- Quantum Trajectories in Phase Space -- Mixed Quantum-Classical Dynamics -- Topics in Quantum Hydrodynamics: The Stress Tensor and Vorticity -- Quantum Trajectories for Stationary States -- Challenges and Opportunities En línea: http://dx.doi.org/10.1007/0-387-28145-2 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=35137 Ejemplares
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