Phys 498A Calendar

HW 3b (due 3/11)

January
21 Part I: Basic Numerical Analysis Web Resources for Numerical Analysis Fortran Codes for the class Numerical Differentiation Numerical Quadrature	23 Numerical Quaderature (cont'd) Root Finding Homework 1 assigned. Due 1-29.
28 Root Finding (cont'd) Semiclassical Quantization	30 Homework 1 Due! Homework 1 solutions Integrating the 1-D Schrodinger Equation.
February
4 Part II: Single-Particle and Independent-Particle Problems Overview of course 1d Schrodinger and Poison Eqs. (cont'd) Koonin p. 55-72	6 Hartree-Fock Theory of many-Fermion systems, e.g., atoms Koonin p. 72-84
11 Homework 2 Due! Homework 2 solutions Hartree-Fock Theory continued Koonin p. 72-84	13 Hartree-Fock Theory continued Homework 3a assigned. Due 2-25.
18 Density Functional Theory Continued discussion of solution of atomic equations Postscript notes on DFT	20 Density Functional Theory continued Continued discussion of solution of atomic equations Postscript notes on DFT Homework 3b assigned. Due 3-11.
25 Homework 3a Due! Homework 3a solutions Matrix Formulation of Quantum Mechanics Introduction to methods for atoms, molecules, crystals	27 Using GAUSSIAN quantum chemistry package Class meets in EWS Lab, room to be announced
March
4 Excitations in Periodic Crystals Solution by Fourier Transforms	6 Program for calculation of bands in crystals Approximations for the total potential
11 Calculations of bands in crystals Examples with pseudopotentials Homework 3b Due! Homework 4b assigned. Due 4-7.	13 Iterative Methods for Quantum Equations The Schrodinger Equation in real and imaginary time
18 Time-Dependent Schrodinger Equation Program for PC adapted from Koonin Lecture by Prof. U. E. Kruse	20 Time-Dependent Schrodinger Equation Conitinued Lecture by Prof. U. E. Kruse
S p r i n g B r e a k
April
1 Conclusion of Independent Particle Problems Car-Parrinello simulations	3 Part III: Many-Body problems in Quantum Mechanics Introduction
8 Monte Carlo methods for high dimensional integrals; Metropolis algorithm	10 Expectational values for many-body wavefunctions; Variational Monte Carlo
15 Programs for Monte Carlo Calculations	17 Diffusion Monte Carlo Exact Solution of Boson Problems and two electron problems: H2 and He
22 Finish the Monte Carlo Method Start the Lanczos Method: Exact Diagonalization for large many-body problems	24 Continue Exact Diagonalization Example: 1d Ising model in a transverse field
29 Exact Diagonalization for many-body problems - Continued
May
	1 Review of Course
6 Reports on Class Projects
Final Exam Wed. May 11, 8 AM

Last modified: April 21
Email question/comments/corrections to shumway@uiuc.edu .