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    Phys 498CQM Calendar Sp 2001
  • Fortran Codes
    • Outine

    May be modified during semester

    		Web Resources:Gen, Num
    January
    15 Holiday
    		 17 Overview of Course
    Lect 0: Quantum Mechanics and Computation
    Treating quantum systems with classical computers
    Introduction to Computers and Languages used
    Homework 1 assigned. Due 1-31.
    22 Part I: Basic Numerical Analysis
    Lect 1: Numerical Differentiation
    Numerical Quadrature
    Error analysis     		24 Lect 2: Root Finding
    Lect 2A: Differential Equations
    Numerov algorithm
    1-D Schrödinger Eq.
    29 Part II: Single-Particle Schrödinger Eq.
    Lect 3: Scattering from a spherical potential
    Physical consequences: Ex. of H-Kr scattering
    (Thijssen, Ch. 2)     		31 Integrating the 1-D Schrödinger Equation
    for bound states
    Examples: bound H-Kr, electron in a box
    Homework 1 Due! Solutions
    February
    5 Time-Dependent Schrodinger Equation
    Homework 2
         		7 Part III: Independent-Particle Approximations
    Hartree-Fock Theory of many-Fermion systems, e.g., atoms
    12Hartree-Fock Theory continued 14 Bose Einstein Condensation
    Recent interest; Mean field (Hartree-Fock-like) theory
    19 Density Functional Theory
    Continued discussion of solution of atomic equations
  • Postscript notes on DFT
    Homework 2 Due!
     Solutions
    		• 21 Density Functional Theory continued
    Continued discussion of solution of atomic equations
    Postscript notes on DFT
    26 Matrix Formulation of Quantum Mechanics
    Introduction to methods for atoms, molecules, crystals
    Homework 3     		28 Using GAUSSIAN quantum chemistry package
    Class meets in EWS Lab, room to be announced
    March
    5 Excitations in Periodic Crystals
    Solution by Fourier Transforms     		7 Program for calculation of bands in crystals
    Approximations for the total potential
    March 12, 14 - S p r i n g B r e a k
    19 Calculations of bands in crystals
    Examples with pseudopotentials
  • Homework 4 assigned. Due 4-9.
    		• 21 Iterative Methods for Quantum Equations
    The Schrodinger Equation in real and imaginary time
    Homework 3 Due!
    Solutions
    26 Car-Parrinello simulations
    Homework 5 assigned. Due 4-16.     		28 Conclusion of Independent Particle Problems
    Car-Parrinello simulations
    Examples in Electronic Structure Calculations
    April
    2 Part IV: Many-Body problems
    in Quantum Mechanics: Introduction         		4 Quantum Monte Carlo - review by D. Ceperley
    9 Greens function Monte Carlo - lecture by D. Ceperley 11 Start the Lanczos Method: Exact Diagonalization for very large problems
    Homework 6 assigned. Due 4-25.
    16 Bose-Einstein Condensation - QMC studies of interacting particles
    Lecture by Markus Holzmann     		18 Continue Exact Diagonalization for many-body problems
    Examples: Hubbard and Spin Models
    23 QMC for systems that interact by exchange of particles
    Lecture by Vijay Pandharipande     		25 Lattice Gauge Theories
    Thijssen Ch. 13
    30 Lattice Gauge Theories - Continued
    May

    		2 Review of Course

    Final Exam during finals week

    Last modified: April 10
    Email question/comments/corrections to rmartin@uiuc.edu .