Course 485: COMPUTERS IN PHYSICAL SCIENCES

Course 780:821 CURRENT TOPICS IN APPLIED PHYSICS

Each Monday: 11:30pm-12:55pm

Each Wednesday: 11:30am-12:55am

In Physics OPTICS Lab - 403B

Lectures Schedule

1. C++ Programming and Numerical Analysis.

Week 1. C++ and Visual C++ using Microsoft Visual Studio.

Lecture1. January 26, 2004. Introduction to Programming.

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Lecture2. January 28, 2004. Using C++.

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HOMEWORK ASSIGNMENT, WEEK 1, LECTURES 1-2 (Due on February 4, 2004)

Week 2. Data visualization in 1 dimension, 2 dimensions, 3D cross sections using BandLab.

Lecture3. February 2, 2004. Data visualization with BandLab. Input/output with C++.

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Lecture 4. February 4, 2004. Basics of 3D Graphics. 3D Data Visualization with BandLab

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HOMEWORK ASSIGNMENT, WEEK 2, LECTURES 3-4 (Due on February 11, 2004)

Week 3. Numerical integration (1D, 2D, nD) and differentiation algorithms. Solving Non-Linear Equations

Lecture 5. February 9, 2004. Numerical Integration and Differentiation Algorithms.

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Lecture 6. February 11, 2004. Solving Non-Linear Equations.

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HOMEWORK ASSIGNMENT, WEEK 3, LECTURES 5-6 (Due on February 18, 2004)

2. Differential Equations and Eigenvalue Problems.

Week 4. Numerical Integration of Differential Equations.

Lecture 7. February 16, 2004. Methods for Integrating Differential Equations.

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Lecture 8. February 18, 2004. Schroedinger’s Equation for a Free Particle in Cartesian and Spherical Coordinates

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HOMEWORK ASSIGNMENT, WEEK 4, LECTURES 7-8 (Due on February 25, 2004)

Week 5. Differential Equations with Discrete Eigenvalues

Lecture 9. February 23, 2004. Schroedinger’s Equation as an Eigenvalue Problem. Quantum Numbers.

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Lecture 10. February 25, 2004. Schroedinger’s Equation for a Particle in a Coulomb Potential.

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HOMEWORK ASSIGNMENT, WEEK 5, LECTURES 9-10 (Due on March 3, 2004)

3. Selected Topics of Atomic Physics

Week 6. Quantum Mechanics of Atomic Systems

Lecture 11. March 1, 2004. Quantum Mechanics of Atomic Systems.

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Lecture 12. March 3, 2004. Quantum Mechanics of Atomic Systems. (cont.)

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HOMEWORK ASSIGNMENT, WEEK 6, LECTURES 11-12 (Due on March 10, 2004)

Week 7. One-electron Spectra of Real Atoms

Lecture 13. March 8, 2004. Electronic Correlations in Atoms, Density Functional Theory and Many Body Theory.

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Lecture 14. March 10, 2004. Finding Atomic Spectra Using the Liberman Program.

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HOMEWORK ASSIGNMENT, WEEK 7, LECTURES 13-14 (Due on March 31, 2004)

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Mar 15-21 Spring Recess

Mar 22-26 APS Meeting

4. Variational Methods and Matrix Eigenvalue Problems

Week 8. Basis Set Representation for Wave Functions

Lecture 15. March 29, 2004. Expansion over the basis sets and the eigenvalue problems.

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Lecture 16, March 31, 2004. Numerical Diagonalization Algorithms and Variational Principle. 

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HOMEWORK ASSIGNMENT, WEEK 8, LECTURES 15-16 (Due on April 7, 2004)

Week 9. Schroedinger Equation for Periodic Potential.

Lecture 17. April 5, 2004. Schroedinger’s equation for periodic potential.

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Lecture 18. Apri 7, 2004. Solving Schroedingers Equation via Fourier Transforms

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HOMEWORK ASSIGNMENT, WEEK 9, LECTURES 17-18 (Due on April 14, 2004)

5. Selected Topics of Electronic Structure Theory

Week 10. Introduction to Electronic Structure Calculations

Lecture 19. April 12 , 2004. Solving Shroedinger Equations for Crystals: Bloch Functions & Energy Bands

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Lecture 20. Apri 14, 2004. Using BandLab to calculate Electronic Structure of Solids

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HOMEWORK ASSIGNMENT, WEEK 10, LECTURES 19-20 (Due on April 21, 2004)

Week 11. Tight-Binding Theory

Lecture 21. April 19, 2004. Fat Bands & Tight-Binding Parameters.

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Lecture 22. April 21, 2004. Tight-Binding Bands with BandLab

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HOMEWORK ASSIGNMENT, WEEK 11, LECTURES 21-22 (Due on April 28, 2004)

Week 12. Density Functional Calculations of Ground State Properties of Solids

Lecture 23. April 26, 2004. Total Energy Calculations

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Lecture 24. April 28, 2004. Magnetic Phenomena.

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HOMEWORK ASSIGNMENT, WEEK 11, LECTURES 23-24 (Due on May 3, 2004)

May 3-14 Final Project.