Examples of common quantum mechanical procedures and calculations carried out in Mathcad©
Erica Harvey Department of Chemistry Fairmont State University Fairmont, WV 26554 United States mail to: eharvey@mail.fscwv.edu
Abstract
For a given function this document provides instruction for using Mathcad to normalize the function, make plots of the probability amplitude and probability density versus position, decide whether or not the function is an eigenfunction of a specified operator and evaluate the eigenvalue if possible, evaluate whether or not the function is orthogonal to another function, calculate an expectation value for some observable using the function, calculate an uncertainty (standard deviation and variance) in the expectation value and calculate the probability of finding a particle, described by the function, in a specified region.
Keywords
Audiences: Upper-Division Undergraduate Pedagogies: Computer-Based Learning Domains: Physical Chemistry Topics: Chemometrics, Mathematics / Symbolic Mathematics, Quantum Chemistry
Documents
File Name Description Software Type Software Version Example_QM_calculations.pdf Read-Only Document Example_QM_calculations.xmcd Mathcad Computational Document Mathcad
Comments to: Erica Harvey at Erica.Harvey@fairmontstate.edu
©Copyright Erica Harvey 2009. All rights reserved. You are welcome to use this document in your own classes but commercial use is not allowed without the permission of the author.