'Schr dinger equation' diaporamas de présentation

CHPC GAMESS-UK Workshop

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Quantum fermions from classical statistics

Quantum fermions from classical statistics. quantum mechanics can be described by classical statistics !. quantum particle from classical probabilities. Double slit experiment. Is there a classical probability density w( x,t ) describing interference ? Suitable time evolution law :

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Modern Physics 342

Modern Physics 342. References : Modern Physics by Kenneth S. Krane . , 2 nd Ed. John Wiley & Sons, Inc. Concepts of Modern Physics by A. Beiser , 6 th Ed. (2002), McGraw Hill Com. Modern Physics for Scientists and Engineers by J. Taylor, C. Zafiratos and M. Dubson , 2 nd Ed, 2003.

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Simons kick-off Semiconductors PIs: Jim Speck Claude Weisbuch Svitlana Mayboroda

Simons kick-off Semiconductors PIs: Jim Speck Claude Weisbuch Svitlana Mayboroda Marcel Filoche. background papers on impact of InGaN alloy disorder. New theory to calculate effects of disorder Landscape Localization theory of disordered potentials

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Chemistry 700

Chemistry 700. Lectures. Resources. Grant and Richards, Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods (Gaussian Inc., 1996) Cramer, Jensen, Ostlund and Szabo, Modern Quantum Chemistry (McGraw-Hill, 1982). Why is one interested in computational chemistry?.

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Prediction of molecular properties (I)

Prediction of molecular properties (I). The general question of rational drug design. Wow is the biological space (activity) of a compound connected to the chemical space (structure) ?. Is it possible to make predictions based on the molecular structure ?. ? QSAR and QSPR.

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Lecture 2. Why BEC is linked with single particle quantum behaviour over macroscopic length scales

http://cua.mit.edu/ketterle_group/. Quantised vortices in 4 He and ultra-cold trapped gases. Interference between separately prepared condensates of ultra-cold atoms. Lecture 2. Why BEC is linked with single particle quantum behaviour over macroscopic length scales.

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Lecture 2. Why BEC is linked with single particle quantum behaviour over macroscopic length scales

http://cua.mit.edu/ketterle_group/. Quantised vortices in 4 He and ultra-cold trapped gases. Interference between separately prepared condensates of ultra-cold atoms. Lecture 2. Why BEC is linked with single particle quantum behaviour over macroscopic length scales.

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Lecture 9. Many-Electron Atoms

Lecture 9. Many-Electron Atoms. References. Engel, Ch. 10 Ratner & Schatz, Ch. 7-9 Molecular Quantum Mechanics, Atkins & Friedman (4th ed. 2005), Ch.7 Computational Chemistry, Lewars (2003), Ch.4 A Brief Review of Elementary Quantum Chemistry

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Ch. 8: Periodic Properties of the Elements

Ch. 8: Periodic Properties of the Elements. Dr. Namphol Sinkaset Chem 200: General Chemistry I. I. Chapter Outline. Introduction The Hydrogen Atom Many e- Atoms Sublevel Energy Splitting The Aufbau Principle The Periodic Table Periodic Trends. I. Organizing Chemical Info.

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Electronic Structure Theories (ab initio, DFT) and Software

Electronic Structure Theories (ab initio, DFT) and Software. Jemmy Hu SHARCNET HPC Consultant at Trent University June 23, 2010 https://www.sharcnet.ca/~jemmyhu/Trent_talk.ppt. Introduction. Theoretical background - ab initio methods - density functional theory (DFT) - basis set

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Atomic Line Emission Spectra and Niels Bohr

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GAMESS-UK Workshop An Introduction to the Fundamentals of Quantum Chemistry

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The Klein-Gordon Equation Revisited

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Wavefunctions and Energy Levels

Wavefunctions and Energy Levels. Since particles have wavelike properties cannot expect them to behave like point-like objects moving along precise trajectories.

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Lectures 3-4: One-electron atoms

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Physics 451

Physics 451. Quantum mechanics I Fall 2012. Karine Chesnel. Teaching assistant: Muxue Liu angela19881217@hotmail.com. Physics 451 Quantum Mechanics - Foundations. Class: M, W, F at 9 am C285 ESC. Instructor: Karine Chesnel N319 ESC 801-422-5687 kchesnel@byu.edu

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