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Exploring Orthonormal Functions

Theresa Julia Zielinski

Department of Chemistry, Medical Technology, and Physics, Monmouth University, West Long Branch, NJ 07764

J. Chem. Educ., 2007, 84 (11), p 1888

DOI: 10.1021/ed084p1888

Publication Date (Web): November 1, 2007

Abstract

In this document students explore orthonormal functions using particle-in-a-box wave functions. The particle-in-a-box wave functions are also used for fitting a linear combination of these functions to a target function. Students compare the quality of the fit between the target function and the linear combination of particle-in-a-box functions and calculate standard deviations.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE SymMath: Symbolic Mathematics in Chemistry

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Chemometrics

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Received: August 03, 2009

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Tech Report

Exploring Orthonormal Functions

Abstract

Keywords (Audience):

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Keywords (Pedagogy):

Keywords (Subject):

Tools

SciFinder Links

History

Recommend & Share

Related Content

Graphing Orbitals in Three Dimensions with Rotatable Density Plots

Quantum Chemistry: Restricted Hartree-Fock SCF Calculations Using Microsoft Excel

Exploring the Harmonic Oscillator Wave Functions

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