Ab Initio Theoretical Investigation on the Geometrical and Electronic Structures of Gallium Aurides: and   

Table 2

Calculated ADEs (eVs) and VDEs (eV) of digallium auride anions at the B3LYP and CCSD(T)//B3LYP levels. The ADEs of the anions are equivalent to the electron affinities of the corresponding neutrals.

	ADE		VDE
	B3LYP	CCSD(T)	B3LYP	CCSD(T)
1    GaAu^− ()	0.64 ()	0.30 ()	0.66 ()	0.60 ()
5     ()	2.51 (^2B2)	2.33 (^2B2)	2.75 (^2B2)	2.72 (^2B2)
9     ()	1.99 ()	1.56 ()	2.10 ()	1.86 ()
13     ()	3.23 ()	3.07 (^2T2)	3.95 ()	4.17 (^2T2)
18     ()	1.47 (^2B1)	1.47 (^2B1)	1.49 (^2B1)	1.50 (^2B1)
23     ()	1.45 (^1A1)	1.46 (^1A1)	1.50 (^1A1)	1.52 (^1A1)
29     ()	2.39 ()	2.13 ()	2.67 ()	2.60 ()
35     ()	1.96 (^1A1)	1.55 (^1A1)	2.06 (^1A1)	1.87 (^1A1)