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Newest
Additive and Cancellative Interacting Particle Systems (Lecture Notes in Mathematics) by David Griffeath (Repost)
Advances in Complex Function Theory (Lecture Notes in Mathematics) by W. E. Kirwan (Repost)
Matrix Mathematics - Theory, Facts, and Formulas, Second Edition
Mathematics Probability, Markov Chains, Queues, and Simulation - The Mathematical Basis of Performance Modeling
Algebraic Aspects of Cryptography (Algorithms and Computation in Mathematics) by Neal Koblitz (Repost)
Mathematics Mathematical Foundations of Computer Science 2004 [Repost]
Mathematics Mathematical Logic for Computer Science (3rd edition)
Spaces of Holomorphic Functions in the Unit Ball (Graduate Texts in Mathematics) by Kehe Zhu (Repost)
An Introduction to Ergodic Theory (Graduate Texts in Mathematics) by Peter Walters (Repost)
Mathematics Symmetry Theory in Molecular Physics with Mathematica: A new kind of tutorial book (Repost)
-Mathematics for the Physical Sciences- by Herbert S. Wilf
Mathematics for Elementary Teachers - A Conceptual Approach, 9 edition
Computer-Enabled Mathematics - Integrating Experiment and Theory in Teacher Education
How to Fold It - The Mathematics of Linkages, Origami and Polyhedra
Mathematics Engineering Analysis: Interactive Methods and Programs with FORTRAN, QuickBASIC, MATLAB, and Mathematica [Repost]
Mathematics Maverick Mathematician: The Life and Science of J.E. Moyal
African Mathematics: From Bones to Computers (repost)
Topology (Allyn and Bacon Series in Advanced Mathematics) by James Dugundji
Mathematics Fundamentals of Algebraic Modeling - An Introduction to Mathematical Modeling with Algebra and Statistics, 5 edition
Mathematics LMSST - 24 Lectures on Elliptic Curves (London Mathematical Society Student Texts) by J. W. S. Cassels
Advances in Complex Function Theory (Lecture Notes in Mathematics) by W. E. Kirwan (Repost)
Matrix Mathematics - Theory, Facts, and Formulas, Second Edition
Mathematics Probability, Markov Chains, Queues, and Simulation - The Mathematical Basis of Performance Modeling
Algebraic Aspects of Cryptography (Algorithms and Computation in Mathematics) by Neal Koblitz (Repost)
Mathematics Mathematical Foundations of Computer Science 2004 [Repost]
Mathematics Mathematical Logic for Computer Science (3rd edition)
Spaces of Holomorphic Functions in the Unit Ball (Graduate Texts in Mathematics) by Kehe Zhu (Repost)
An Introduction to Ergodic Theory (Graduate Texts in Mathematics) by Peter Walters (Repost)
Mathematics Symmetry Theory in Molecular Physics with Mathematica: A new kind of tutorial book (Repost)
-Mathematics for the Physical Sciences- by Herbert S. Wilf
Mathematics for Elementary Teachers - A Conceptual Approach, 9 edition
Computer-Enabled Mathematics - Integrating Experiment and Theory in Teacher Education
How to Fold It - The Mathematics of Linkages, Origami and Polyhedra
Mathematics Engineering Analysis: Interactive Methods and Programs with FORTRAN, QuickBASIC, MATLAB, and Mathematica [Repost]
Mathematics Maverick Mathematician: The Life and Science of J.E. Moyal
African Mathematics: From Bones to Computers (repost)
Topology (Allyn and Bacon Series in Advanced Mathematics) by James Dugundji
Mathematics Fundamentals of Algebraic Modeling - An Introduction to Mathematical Modeling with Algebra and Statistics, 5 edition
Mathematics LMSST - 24 Lectures on Elliptic Curves (London Mathematical Society Student Texts) by J. W. S. Cassels
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Mathematics M¨¦thodes math¨¦matiques en chimie quantique. Une introduction
Posted on 2010-04-12
|
More Eric Canc¨¨s, Claude Le Bris, Yvon Maday ¡°M¨¦thodes math¨¦matiques en chimie quantique. Une introduction" Ce cours est une introduction ¨¤ la mod¨¦lisation math¨¦matique et ¨¤ l'analyse num¨¦rique pour la chimie mol¨¦culaire quantique, un champ peu connu des math¨¦maticiens et pourtant riche en sujets d'investigation. Le point de vue choisi est celui du math¨¦maticien appliqu¨¦. Le cours est construit de mani¨¨re auto-consistante. Seules des notions de base en analyse fonctionnelle sont requises pour l'aborder. Les outils math¨¦matiques plus ¨¦labor¨¦s sont introduits progressivement et les connaissances n¨¦cessaires en physique et en th¨¦orie spectrale sont regroup¨¦es dans des annexes. On pr¨¦sente d'abord les mod¨¨les les plus utilis¨¦s en pratique. Puis, on analyse ces mod¨¨les d'un point de vue math¨¦matique (questions d'existence de solutions, d'unicit¨¦, ...). On introduit ensuite les diff¨¦rentes strat¨¦gies num¨¦riques employ¨¦es pour la r¨¦solution pratique, et on fournit, quand ceci est possible, des ¨¦l¨¦ments d'analyse num¨¦rique de ces m¨¦thodes. Les liens existants entre les mod¨¨les de la chimie mol¨¦culaire et des sujets connexes sont aussi explor¨¦s : mod¨¦lisation de la phase liquide, physique de l'¨¦tat cristallin, biologie, simulation des mat¨¦riaux, ... Le cours peut aussi int¨¦resser le chimiste ou le physicien curieux de comprendre les techniques math¨¦matiques dont rel¨¨vent les mod¨¨les qu'il utilise, et de d¨¦couvrir comment de telles techniques peuvent am¨¦liorer significativement l'efficacit¨¦ et la qualit¨¦ des simulations num¨¦riques. The book is an introduction to the mathematical modelling and the numerical analysis for computational quantum chemistry. The text is self-consistent: no particular familiarity with the subject nor the mathematical tools is required. Only a basic training in functional analysis is necessary. The models are introduced and discussed. They are analyzed mathematically. The numerical techniques are presented and, when possible, also analyzed. Topics closely related to molecular simulation are also addressed, such as solid state physics, liquid state physics, biology, and materials science. The book can also be useful for students and researchers of those fields, curious about the mathematical techniques and the numerical strategies. --- Want to thank - download from my links --- "
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