ChemViz

Overview

Overview of Curriculum


Home

Overview Materials

  • Computational Science
  • Computational Chemistry
  • Basic Quantum Chemistry
  • Schrodinger's Equation
  • Atomic Units
  • The Born Oppenheimer Approximation
  • The Hartree Fock Approximation

  • Key Points

    Readings

  • Overview
  • Atomic Orbitals

    Lab Activities

  • Z-matrices
  • Basis Sets
  • Geometry Optimizations
  • Ionization Energies

    Support Materials

  • Interactive Tools
  • Glossary of Terms
  • Quick Guide to DISCO Output File

    Related Links

  • ChemViz
  • Computational Chemistry
  • SUCCEED's Computational Chemistry

    Developers' Tools

  • What's New?
  • Discussion Board
  • Team Members
  • Email the Group


  • Contact Webmaster

  • Welcome to ChemViz's curriculum resource page. This page is designed to give students and teachers a background in the topics dealt with by ChemViz. Most of these materials are short readings to introduce you to some of the concepts and terminology used by chemists, especially computational chemists. The overview topics include:

  • Computational Science
  • Learn what computational science is and how it is applied to real world situations.
  • Computational Chemistry
  • Learn how computational science is incorporated into chemistry and the specific methods used.
  • Basic Quantum Chemistry
  • Learn some fundamentals of atoms and useful properties to help you solve problems.
  • Schrodinger's Equation
  • An introduction to one of the basic wave functions that serves as a backbone for computational chemistry.
  • Atomic Units
  • Discover what the atomic units are that will help you in solving chemistry problems.
  • The Born Oppenheimer Approximation
  • An explanation of the approximation equation used to describe atomic properties.
  • The Hartree Fock Approximation
  • Learn how to use the equation which approximates the wave function for a total molecule.
  • Key Points
  • A brief outline of the important facts to remember.


    Developed by
    Shodor logoThe Shodor Education Foundation, Inc.
    in cooperation with the
    National Center for Supercomputing Applications

    © Copyright 1999-2000 The Shodor Education Foundation, Inc.