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Journal of Atomic and Molecular Physics
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Special Issues
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
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