From owner-chemistry@ccl.net Sun Nov 23 09:53:01 2008 From: "William F. Coleman wcoleman_+_wellesley.edu" To: CCL Subject: CCL: exercises resolved, for teaching Message-Id: <-38145-081123095106-26444-qApWNNZm48zjsXS0oyPOZA=-=server.ccl.net> X-Original-From: "William F. Coleman" Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=UTF-8 Date: Sun, 23 Nov 2008 09:50:53 -0500 MIME-Version: 1.0 Sent to CCL by: "William F. Coleman" [wcoleman[]wellesley.edu] "CCL Subscribers" on Sunday, November 23, 2008 at 2:48 AM -0500 wrote: >dear CCLers, >I am a teacher of theoritical chemistry,  and i loock for exercises >resolved on the folowing subjects( if it is a possible): >1- solution of the Schrodinger equation for the hydrogen atom >2- Variation method >3- huckel simple >thanks I would suggest starting with the Journal of Chemical Education. There is a web-based collection of exercises using computer algebra systems that address all areas of chemistry, including a number directed toward theoretical chemistry. Included are topics such as: Symbolic Math Approach To Solve Particle-in-the-Box and H-Atom Problems Construction of the Electronic Angular Wave Functions and Probability Distributions of the Hydrogen Atom Exploring Orthonormal Functions Exploring the Harmonic Oscillator Wave Function Components Potential Barriers and Tunneling Visualization of Wavefunctions of the Ionized Hydrogen Molecule Variational Methods Applied to the Particle in a Box and many others - these are all part of the SymMath Collection - http://jchemed.chem.wisc.edu/JCEDLib/SymMath/collection/index.php One of the features I edit for the Journal, the WebWare feature, also has some theoretical chemistry applications including: Restricted Hartree-Fock SCF Calculations Using Microsoft Excel Self-Consistent Field Calculations Spreadsheet The Effect of Anharmonicity on Diatomic Vibration: A Spreadsheet Simulation Hückel Determinant Solver These are at http://jchemed.chem.wisc.edu/JCEDLib/WebWare/collection/reviewed/index.html The print version of the Journal also contains many articles dealing with theoretical chemistry topics. All of these are part of the National Science Digital Library - http://nsdl.org/ I hope this helps, Flick _______________ William F. Coleman Professor of Chemistry Wellesley College Wellesley MA 02481 www.wellesley.edu/Chemistry/colemanw.html Editor, JCE WebWare and JCE Featured Molecules http://www.jce.divched.org/JCEDLib/WebWare/ http://jchemed.chem.wisc.edu/JCEWWW/Features/MonthlyMolecules/index.html