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Numerical Calculation of Vibrational Relaxation and Dissociation for a Quantum Anharmonic Oscillator

✍ Scribed by Dove, J. E.


Book ID
121313303
Publisher
American Institute of Physics
Year
1971
Tongue
English
Weight
915 KB
Volume
55
Category
Article
ISSN
0021-9606

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## Abstract In this work we demonstrate how different modern quantum chemical methods can be efficiently combined and applied for the calculation of the vibrational modes and spectra of large molecules. We are aiming at harmonic force fields, and infrared as well as Raman intensities within the dou