Volume 3B Number 2

Volume 3B Number 2

In This Issue

Numerical Solutions for Schröedinger's Equation
 
Frank Rioux
Pop-Up Units Converter
 
Gordon Filby and Martin Klusmann
ChemCalc: A Scientific Calculator
 
Robert D. Allendoerfer
About This Issue

John W. Moore
University of Wisconsin-Madison, Madison, WI 53706-1396

Note:
This issue is out of print.

This issue contains two programs that will be useful in any chemistry course from the introductory level on and one designed for physical chemistry. All involve the computer as a calculator in one way or another.
Pop-Up Units Converter allows a chemist or student to call up at any time a calculator that will convert from one unit to another for the same physical quantity. ChemCalc allows a variety of calculations to be done on individual numbers or on pairs of numbers; it is usable stand-alone or as part of a CAI or drill-and-practice program. Both will find use in a variety of situations encountered daily by chemists and chemistry teachers.
Numerical Solutions for Schröedinger's Equation goes beyond conventional textbooks and teaching methods in physical chemistry, providing a general method for solving Schröedinger's equation. Numerical solutions (as compared to closed-form analytical solutions, the variation method, or perturbation theory) provide an accurate and mathematically simple alternative that has important pedagogical strengths. Numerical methods work very well for a wide range of applications and are essential when exact and approximate analytical techniques fail or are difficult to apply. Frank Rioux's programs, spreadsheet templates, and exercises fill an important gap in the current pedagogical literature of physical chemistry.
Hardware and Software Requirements
Programs in this issue are supplied on 5.25-in. disks and will run under MS-DOS (IBM PC DOS) version 2.1 or later. Numerical Solutions to Schröedinger's Equation requires 512K RAM, one disk drive, and a Color Graphics Adapter (CGA) or compatible graphics adapter for the BASIC programs; the spreadsheet templates can be run on any computer that will run Lotus 1-2-3. (Lotus 1-2-3 requires DOS 3.0 or higher and at least 256K RAM, but the more memory the better. A graphics adapter will also be needed. Lotus 1-2-3 is not supplied--you must have your own copy or purchase one.) ChemCalc and Pop-Up Units Converter require 256K RAM and one disk drive. To use ChemCalc as a subroutine in your own program you will need BASIC.
First Published: October 1990
Citation: Moore, J. W. About This Issue J. Chem. Educ. Software 3B2
Keywords:

Editorial Commentary
Three Years of JCE: Software
 
John W. Moore

News | Issues | CD-ROM / Video | Find It! | Technical Support | For Authors

JCE Online | Journal | Software | Internet | Happenings | About JCE | Contact JCE

Last Updated: March 19, 2001
Created: December 10, 1996 Created by: J.L. Holmes
Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.



Volume 3B Number 2

In This Issue

Numerical Solutions for Schröedinger's Equation
	Frank Rioux
Pop-Up Units Converter
	Gordon Filby and Martin Klusmann
ChemCalc: A Scientific Calculator
	Robert D. Allendoerfer

About This Issue
John W. Moore University of Wisconsin-Madison, Madison, WI 53706-1396

Note:	This issue is out of print.

This issue contains two programs that will be useful in any chemistry course from the introductory level on and one designed for physical chemistry. All involve the computer as a calculator in one way or another. Pop-Up Units Converter allows a chemist or student to call up at any time a calculator that will convert from one unit to another for the same physical quantity. ChemCalc allows a variety of calculations to be done on individual numbers or on pairs of numbers; it is usable stand-alone or as part of a CAI or drill-and-practice program. Both will find use in a variety of situations encountered daily by chemists and chemistry teachers. Numerical Solutions for Schröedinger's Equation goes beyond conventional textbooks and teaching methods in physical chemistry, providing a general method for solving Schröedinger's equation. Numerical solutions (as compared to closed-form analytical solutions, the variation method, or perturbation theory) provide an accurate and mathematically simple alternative that has important pedagogical strengths. Numerical methods work very well for a wide range of applications and are essential when exact and approximate analytical techniques fail or are difficult to apply. Frank Rioux's programs, spreadsheet templates, and exercises fill an important gap in the current pedagogical literature of physical chemistry. Hardware and Software Requirements Programs in this issue are supplied on 5.25-in. disks and will run under MS-DOS (IBM PC DOS) version 2.1 or later. Numerical Solutions to Schröedinger's Equation requires 512K RAM, one disk drive, and a Color Graphics Adapter (CGA) or compatible graphics adapter for the BASIC programs; the spreadsheet templates can be run on any computer that will run Lotus 1-2-3. (Lotus 1-2-3 requires DOS 3.0 or higher and at least 256K RAM, but the more memory the better. A graphics adapter will also be needed. Lotus 1-2-3 is not supplied--you must have your own copy or purchase one.) ChemCalc and Pop-Up Units Converter require 256K RAM and one disk drive. To use ChemCalc as a subroutine in your own program you will need BASIC.


News \| Issues \| CD-ROM / Video \| Find It! \| Technical Support \| For Authors
JCE Online \| Journal \| Software \| Internet \| Happenings \| About JCE \| Contact JCE
Last Updated: March 19, 2001 Created: December 10, 1996	Created by: J.L. Holmes Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.