Table 2.

Calculated mean polarizabilities, α_o (au), mean first hyperpolarizabilities, β_o (au), λ_max (nm), transition energies, ΔE (eV), oscillator strengths, f_o, (au) and differences in dipole moments, Δμ (D) between the ground and excited states of the crucial excited states for the M1(C222)M2 compounds.

M1(C222)M2	αo	βo	λmax	ΔE	fo	Δμ
Li+(C222)Be−	480	2.4 × 104	1256	0.98	0.07	2.32
Li+(C222)Mg−	646	1.0 × 105	1614	0.76	0.10	5.30
Li+(C222)Ca−	735	1.3 × 105	1506	0.82	0.11	5.23
Na+(C222)Be−	492	6.5 × 104	600	2.06	0.06	5.26
Na+(C222)Mg−	680	2.7 × 105	1800	0.68	0.08	5.81
Na+(C222)Ca−	766	2.0 × 105	1609	0.77	0.11	8.24
K+(C222)Be−	507	5.4 × 104	614	2.01	0.09	10.05
K+(C222)Mg−	694	1.1 × 105	1796	0.69	0.11	0.01
K+(C222)Ca−	423	8.7 × 104	1598	0.78	0.12	0.01