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generate_spec(x,FWHM,method) Matlab function that generates a spectrum from frequency, ocillator strength data output from
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2.5 | 2 ratings Rate this file 7 Downloads (last 30 days) File Size: 838 Bytes File ID: #14402

Generate Spectrum

23 Mar 2007 (Updated 26 Mar 2007)

Generates an experimental looking spectrum from an input containing frequency vs oscillator strength

File Information
Description	This is a little script that adds several Gaussian or Lorentzian functions with the appropriate full width at half max and height to generate and plot a spectrum. The input is an array containing frequency vs oscillator strength, desired fwhm of the peaks and method for generating the spectrum. This is very useful to use with quantum chemistry computational programs.
MATLAB release	MATLAB 6.5 (R13)

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Everyone's Tags	chemistry, harmonic oscillator, physics, quantum chemistry, spectroscopy
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Comments and Ratings (4)
28 Mar 2007	Reed Farrar	Due to the lack of documentation (such as: explain input and output arguments) it would be difficult for someone to use this code and have confidence that correct results are obtained.
26 Apr 2007	Sunil Arya	Its good. Can someone help me to provide DFT program for quantum coputational.
01 May 2007	Will B	Needs documentation.
01 May 2007	Carlos Baiz	Will post documentation soon.

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