The most recent SpecView model
- Dunham expressions (up to 6 vibrational modes)
Use most recent developments in line-by-line & Profile fitting! Use rapidly converging to obtaine the best set of constants without even making line by line assignment!
Includes up to 3-power mixing terms (4th power PES perturbations)
The model does not provide intensities, all the levels are simulated with unit intensities and only energy/frequency positions are fitted.
The following expressions are used to generate energy positions: E=Sum(wk x (vk+1/2))+Sum(Xik x (vi+1/2) x (vk+1/2)) +Sum(Yikj x (vi+1/2) x (vk+1/2) x (vj+1/2))
To simulate the structure of vibrational levels in any electronic state (ground or excited),
The following choiced should be taken in "Constants" dialog box (Menu->Constants->Mol. Constants):
1. "Ground state" Combo Box should be set to "Null"(default), and
2. "Excited state" Combo Box should be set to "Vib".
Technical details: To use fitting routine one has to switch to "numerical derivatives" mode (Menu->Fit->Numerical derivatives)
To use the model you have to register it first:
Find specview.ini file on you computer (most likely your "Windows" directory)
Following the sructure of the file add one line in LibName setion specifying the name of the library "Dunham"
In the model path section write down the exact path to the Dunham expansions model file Dunham.dll on your computer (depends on directory you save it to after the download
Save changes to specview.ini
Start SpecView.exe and use the model!
It is advised to use numerical derivative fitting algorithm to analyse
experimental spectra (Menu->Fit->Numerical Derivatives)
--To use the DLL from this page you have to have the original package SpecVi38a.exe installed for proper files configuration.--
You are very welcome to leave comments or express feelings you experienced using SpecView. Your feedback is important for development of the best spectrum analysis tools.
Last revised on December 31, 1969, 7:00 pm