Journal of Atomic and Molecular Physics

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 Π 𝑔 , 3 Π 𝑢 , 3 Σ + 𝑔 , 3 Σ + 𝑢
E q u a t i o n ( 2 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 𝑛 𝑝 ) 1 𝑃 ) ∶ 1 Π 𝑔 , 1 Π 𝑢 , 1 Σ + 𝑔 , 1 Σ + 𝑢
E q u a t i o n ( 3 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑠 ) 3 𝑆 ) ∶ 3 Σ + 𝑔 , 3 Σ + 𝑢
E q u a t i o n ( 4 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑠 ) 1 𝑆 ) ∶ 1 Σ + 𝑔 , 1 Σ + 𝑢
E q u a t i o n ( 5 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑝 ) 3 𝑃 ) ∶ 3 Π 𝑔 , 3 Π 𝑢 , 3 Σ + 𝑔 , 3 Σ + 𝑢
E q u a t i o n ( 6 ) ( ( 𝑛 𝑠 2 ) 1 𝑆 + ( 𝑛 𝑠 ( 𝑛 + 1 ) 𝑝 ) 1 𝑃 ) ∶ 1 Π 𝑔 , 1 Π 𝑢 , 1 Σ + 𝑔 , 1 Σ + 𝑢