Table 1. Energy of the Kramers doublets (KDs) as obtained from ab initio calculations and from spectroscopy measurements, corresponding effective g-tensors and the largest |M_J| contribution to the wave function computed with SOC-CASSCF/RASSI.

Term	Energy, cm–1		|MJ|	g′eff
	From calculations	From spectroscopy
2F7/2	0	0	7/2–90%	7.5724	0.5669	0.9183
	296	382.5	5/2–58%	5.8047	2.2362	1.3143
	421	530.4	1/2–49%	7.3383	0.7869	0.571
	472	641.9	3/2–44%	6.6627	1.3736	0.9008
2F5/2	10 351	10 224.9	—	4.0128	0.4209	0.6562
	10 647	—	—	2.9585	0.347	1.3231
	10 743	—	—	2.8724	0.8907	1.5597