ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Feynman's way is used to calculate total-energy curves for the X 1Σg+, a 3Πu, b 3Σg−, A 1Πu, c 3Σu+, 1 1Δg, 2 1Σg+, d 3Πg, C 1Πg, e 3Πg, D 1Σu+, and C′ 1Πg valence states of C2. Lewis structures are derived for each state. Average (maximum) deviations of calculated spectroscopic constants from experiment are 1.9 (4.3) pm for Re, 18 (32) kJ/mol for De, 12 (36) kJ/mol for Te, 62 (162) cm−1 for ωe, and 16 (31) kJ/mol for asymptotic excitation energies. © 1998 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.475957
Permalink