TY  - JOUR
A1  - Rosmus, Pavel
A1  - Reinsch, Ernst-Albrecht
T1  - Calculation of molecular constants for the 1∑+ ground states of the NeH+ and KrH+ ions
T2  - Zeitschrift für Naturforschung, A
N2  - Potential energy and dipole moment functions have been calculated for the ground states of the NeH+ (1.0 ≦ R ≦ 15 a. u.) and the KrH+ (1.6 ≦ R ≦ 20 a. u.) ion from highly correlated SCEP/VAR and SCEP/CEPA electronic wave functions. The following spectroscopic constants have been derived: Ne20H+ re = 0.996 ± 0.003 Å, ωe = 2896 ± 20cm-1 , D0(Ne + H+) = 2.10 ± 0.05 eV; Kr84H+ re = 1.419 ± 0.003 Å, ωe = 2561 ±20 cm-1 , D0(Kr + H+) = 4.65 ±0.05 eV. The Einstein transition probability coefficients of spontaneous emission have been calculated for all transitions v ≦ 5 of Ne20H+, Ne20D+, Kr84H+ and Kr84D+, respectively.
Y1  - 2014
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/74220
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-742203
SN  - 1865-7109
VL  - 35
IS  - 10
SP  - 1066
EP  - 1070
PB  - Verlag der Zeitschrift für Naturforschung
CY  - Tübingen
ER  -