B3LYP/6-31 + g(d)

MP2/6-31 + g(d)

E_b

E_g

E_b

E_g

Al2P2-a

−12.20

2.24

−1.02

6.77

Al2P2-b

−10.93

1.85

−3.00

6.68

Al3P3-a

−19.80

2.13

−5.52

5.90

Al3P3-b

−19.53

3.16

−5.55

7.19

Al3P3-c

−19.37

2.41

−5.39

5.95

Al4P4-a

−28.13

1.87

−8.03

6.81

Al4P4-b

−25.45

2.91

−7.44

4.77

Al4P4-c

−25.44

1.77

−7.20

7.05

Al5P5-a

−36.11

2.51

−10.33

6.92

Al5P5-b

−32.45

2.14

−9.53

5.50

Al5P5-c

−31.93

1.96

−9.43

4.65

Al6P6-a

−45.30

2.34

−12.99

7.29

Al6P6-b

−44.47

2.15

−12.71

6.86

Al6P6-c

−35.11

2.57

−11.45

5.61

Al7P7-a

−52.93

2.56

−15.18

7.30

Al7P7-b

−47.66

2.18

−13.17

6.26

Al7P7-c

−46.92

2.15

−13.87

4.88

Al8P8-a

−62.04

2.71

−17.84

7.65

Al8P8-b

−60.70

2.78

−17.41

7.73

Al8P8-c

−47.88

3.68

−16.02

6.26

Al9P9-a

−70.63

2.90

−20.28

7.82

Al9P9-b

−62.42

2.60

−17.92

6.97

Al9P9-c

−60.27

1.64

−17.54

4.97