Potential curve of the ground electronic state of copper dimer

Authors
Citation
Ad. Smirnov, Potential curve of the ground electronic state of copper dimer, RUSS J PH C, 73(8), 1999, pp. 1255-1260
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
73
Issue
8
Year of publication
1999
Pages
1255 - 1260
Database
ISI
SICI code
0036-0244(199908)73:8<1255:PCOTGE>2.0.ZU;2-8
Abstract
A potential energy curve was obtained for the ground electronic state of th e Cu-63(2) molecule. The lower part of the curve was approximated by the mo del of a perturbed Morse oscillator and the middle part by the Rydberg-Klei n-Ries model. The potential curve portion corresponding to large internucle ar distances was approximated by the van der Waals equation. The reliabilit y of the obtained curve was checked by comparing vibrational energy and rot ational constant values calculated from experimental data and found by solv ing the radial wave equation. The potential curve was used to calculate cen trifugal distortion constants earlier unknown.