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

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.
Audiences: Upper-Division Undergraduate
Pedagogies: Computer-Based Learning
Domains: Physical Chemistry
Topics: Chemometrics, Mathematics / Symbolic Mathematics, Quantum Chemistry
File NameDescriptionSoftware TypeSoftware 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.