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Constants of centrifugal distortion of Сu2 molecule

Authors: Smirnov A.D. Published: 31.03.2015
Published in issue: #1(2)/1999  
DOI:

 
Category: Chemistry  
Keywords:

The potential energy curves are calculated for some electron states of Cu2 molecule by the Rydberg-Klein-Ress method. These potential curves are used to determine the eigenvalues ana eigenfunctions by numerical solution of the radial Schrodinger equation. The centrifugal distortion constants are found from the vibrational wave functions and energies. The obtained centrifugal distortion constants are compared with the values derived by Dunham coefficients.