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ERIC Number: EJ1250875
Record Type: Journal
Publication Date: 2020-Apr
Pages: 9
Abstractor: As Provided
ISBN: N/A
ISSN: ISSN-0021-9584
EISSN: N/A
Observing Quantum Dynamics in Real Time: An Excel-Ready Finite-Difference Algorithm for Solving the Time-Dependent Schrödinger Equation
Rossman, Taylor A.; Parks, Zachary P.; Messina, Michael
Journal of Chemical Education, v97 n4 p1026-1034 Apr 2020
We present an algorithm for solving the time-dependent Schrödinger equation that is based on the finite-difference expression of the kinetic energy operator. Students who have some knowledge of linear algebra can understand the theory used to derive the algorithm. This is because the finite-difference kinetic energy matrix and the Hückel matrix for linear conjugated hydrocarbons have similar forms. We offer 3 modules that can be used to solve 1-dimensional time-dependent Schrödinger equations, in real time. Module 1 contains two worksheets designed to show quantum dynamics in bound potentials. Module 2 contains 2 worksheets designed to illustrate tunneling. Module 3 contains 2 worksheets set up to illustrate the effect of time-dependent external fields. Further, modules 1 and 3 also include the Verlet algorithm so students can compare the quantum dynamical evolution of the systems to their classical counterpart in real time.
Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: N/A
Audience: Teachers
Language: English
Sponsor: N/A
Authoring Institution: N/A
Grant or Contract Numbers: N/A