Journal of Atomic and Molecular Physics / 2012 / Article / Tab 2

Research Article

Relativistic Time-Dependent Density Functional Theory and Excited States Calculations for the Zinc Dimer

Table 2

Lowest excited states and the corresponding asymptotes.

E q u a t i o n ( 1 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 𝑛 𝑝 ) 3 𝑃 ) ∢ 3 Ξ  𝑔 , 3 Ξ  𝑒 , 3 Ξ£ + 𝑔 , 3 Ξ£ + 𝑒
E q u a t i o n ( 2 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 𝑛 𝑝 ) 1 𝑃 ) ∢ 1 Ξ  𝑔 , 1 Ξ  𝑒 , 1 Ξ£ + 𝑔 , 1 Ξ£ + 𝑒
E q u a t i o n ( 3 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑠 ) 3 𝑆 ) ∢ 3 Ξ£ + 𝑔 , 3 Ξ£ + 𝑒
E q u a t i o n ( 4 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑠 ) 1 𝑆 ) ∢ 1 Ξ£ + 𝑔 , 1 Ξ£ + 𝑒
E q u a t i o n ( 5 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑝 ) 3 𝑃 ) ∢ 3 Ξ  𝑔 , 3 Ξ  𝑒 , 3 Ξ£ + 𝑔 , 3 Ξ£ + 𝑒
E q u a t i o n ( 6 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑝 ) 1 𝑃 ) ∢ 1 Ξ  𝑔 , 1 Ξ  𝑒 , 1 Ξ£ + 𝑔 , 1 Ξ£ + 𝑒

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