TY - JOUR
T1 - Improved potential energy curves and dissociation energies for HF, DF and TF
AU - Zemke, Warren T.
AU - Stwalley, William C.
AU - Coxon, John A.
AU - Hajigeorgiou, Photos G.
PY - 1991/3/1
Y1 - 1991/3/1
N2 - We have constructed new hybrid potential energy curves for the ground states of HF, DF and TF based primarily on the experimentally based potentials of Coxon and Hajigeorgiou which include the isotopic dependence of the Born-Oppenheimer breakdown. For observed and unobserved quasibound states of HF and DF, we used these potentials and calculated quasibound energies and linewidths for various dissociation energies De. Based on a comparison of calculated and observed line positions and widths, we determined improved De values: for HF, De = 49362 ± 5 cm-1 (D0 = 47311 cm-1); for DF, De = 49346 ± 8 cm-1 (D0 = 47856 cm-1); for TF, De = 49341 ± 9 cm-1 (D0 = 48093 cm-1.
AB - We have constructed new hybrid potential energy curves for the ground states of HF, DF and TF based primarily on the experimentally based potentials of Coxon and Hajigeorgiou which include the isotopic dependence of the Born-Oppenheimer breakdown. For observed and unobserved quasibound states of HF and DF, we used these potentials and calculated quasibound energies and linewidths for various dissociation energies De. Based on a comparison of calculated and observed line positions and widths, we determined improved De values: for HF, De = 49362 ± 5 cm-1 (D0 = 47311 cm-1); for DF, De = 49346 ± 8 cm-1 (D0 = 47856 cm-1); for TF, De = 49341 ± 9 cm-1 (D0 = 48093 cm-1.
UR - http://www.scopus.com/inward/record.url?scp=0000825495&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(91)85076-9
DO - 10.1016/0009-2614(91)85076-9
M3 - Article
AN - SCOPUS:0000825495
SN - 0009-2614
VL - 177
SP - 412
EP - 418
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-5
ER -