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Energies and Wave Functions for Several One-Dimensional Potentials

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Ricardo Metz

Department of Chemistry, Lederle GRT, University of Massachusetts, Amherst, MA 01003-4510

J. Chem. Educ., 2004, 81 (1), p 157

DOI: 10.1021/ed081p157

Publication Date (Web): January 1, 2004

Abstract

This module allows students to calculate energies and wave functions for several one-dimensional potentials. Potentials include: Particle in a finite box, Particle in a box with a barrier, Harmonic oscillator, Morse oscillator, and a Double-minimum potential.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE SymMath: Symbolic Mathematics in Chemistry

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Atomic Properties / Structure

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Citing Articles

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This article has been cited by 3 ACS Journal articles (3 most recent appear below).

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  Journal of Chemical Education2011 88 (11), 1521-1524
  The quantum semester of a typical two-semester physical chemistry course is divided into two parts. The initial focus is on quantum mechanics and simple model systems for which the Schrödinger equation can be solved in closed form, but it then shifts in ...
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Electron Affinity of NO
Charles A. Arrington, Thom H. Dunning, Jr. and David E. Woon
The Journal of Physical Chemistry A2007 111 (44), 11185-11188
- Electron Affinity of NO
  Charles A. Arrington, Thom H. Dunning, Jr. and David E. Woon
  The Journal of Physical Chemistry A2007 111 (44), 11185-11188
  The electron affinity of NO has been measured to be 0.026 eV by laser photodetachment experiments. This low electron affinity (just 2.5 kJ/mol or 210 cm-1) presents a computational challenge that requires careful attention to several aspects of the ...
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Electronic and Vibrational Spectroscopy and Vibrationally Mediated Photodissociation of V⁺(OCO)
Murat Citir, Gokhan Altinay, and Ricardo B. Metz
The Journal of Physical Chemistry A2006 110 (15), 5051-5057
- Electronic and Vibrational Spectroscopy and Vibrationally Mediated Photodissociation of V⁺(OCO)
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  The Journal of Physical Chemistry A2006 110 (15), 5051-5057
  Electronic spectra of gas-phase V+(OCO) are measured in the near-infrared from 6050 to 7420 cm-1 and in the visible from 15500 to 16560 cm-1, using photofragment spectroscopy. The near-IR band is complex, with a 107 cm-1 progression in the metalligand ...
  Abstract | Full Text HTML | Hi-Res PDF