Symmetry‐specific densities of vibrational levels for polyatomic molecules

1984 ◽  
Vol 80 (5) ◽  
pp. 2029-2033 ◽  
Author(s):  
Amitabha Sinha ◽  
James L. Kinsey
Keyword(s):  
Polyatomic Molecules ◽  
Vibrational Levels

EXPERT SYSTEM FOR THRESHOLD SPECTRA ANALYSIS OF SO2 MOLECULES

2007 ◽  
Vol 18 (07) ◽  
pp. 1133-1148 ◽  
Author(s):  
VIOLETA PETROVIĆ ◽  
V. BOČVARSKI ◽  
I. PETROVIĆ
Keyword(s):  
Expert System ◽  
Excited States ◽  
Polyatomic Molecules ◽  
Spectra Analysis ◽  
Triatomic Molecules ◽  
Low Intensity ◽  
Electron Spectra ◽  
Vibrational Levels ◽  
Threshold Energies

In this paper an expert system is presented that was developed with the aim to analyze electron spectra on the threshold energies in collision with triatomic and polyatomic molecules. This expert system was made by updating the expert system for the analysis of the threshold spectra of two-atomic molecules. In contrast to the threshold spectra of two-atomic molecules, where were exist more or less defined structures of excited states, as well as vibrational levels, in the threshold spectra of triatomic molecules clearly defined structures almost do not exist. The application of the expert system in the process of triatomic and polyatomic molecules spectra analysis has an important role because it enables analysis of larger number of excited states, vibrational levels, and resonances, which can be missed in the analysis by classical methods, either because of low intensity or because of insufficiently defined separation of peaks in spectrum, which arise from the overlapping of a large number of peaks.

scholarly journals Analytical Evaluation for Calculation of Two-Center Franck–Condon Factor and Matrix Elements

2018 ◽  
Vol 2018 ◽  
pp. 1-6 ◽  
Author(s):  
Hüseyin Koç
Keyword(s):  
Transition Probabilities ◽  
Polyatomic Molecules ◽  
Harmonic Oscillators ◽  
Binomial Coefficients ◽  
Matrix Elements ◽  
Molecular Physics ◽  
Line Intensities ◽  
Vibrational Levels ◽  
Analytical Formulas ◽  
Franck Condon

The Franck–Condon (FC) factor is defined as squares of the Franck–Condon (FC) overlap integral and represents one of the principle fundamental factors of molecular physics. The FC factor is used to determine the transition probabilities in different vibrational levels of the two electronic states and the spectral line intensities of diatomic and polyatomic molecules. In this study, new analytical formulas were derived to calculate Franck–Condon integral (FCI) of harmonic oscillators and matrix elements (xη, e−2cx, and e−cx2) including simple finite summations of binomial coefficients. These formulas are valid for arbitrary values. The results of formulas are in agreement with the results in the literature.

Collective hyperspherical coordinates for polyatomic molecules and clusters

2000 ◽  
Vol 98 (21) ◽  
pp. 1763-1770 ◽  
Author(s):  
Vincenzo Aquilanti, Andrea Beddoni, Simonett
Keyword(s):  
Polyatomic Molecules ◽  
Hyperspherical Coordinates

Polyatomic molecules in a strong infrared field

1981 ◽  
Vol 134 (5) ◽  
pp. 45 ◽  
Author(s):  
V.S. Letokhov ◽  
A.A. Makarov
Keyword(s):  
Polyatomic Molecules
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