(1s 2 2s 2 2p 3 4p 1 ) 3 P Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4p- electron | |
| 1 | 2p | 6.182397 | .15853673 |
| 2 | 3p | 1.343073 | 2.29735812 |
| 3 | 4p | 2.396507 | -1.76174378 |
| 4 | 5p | 4.333742 | -.19421719 |
| 5 | 3p | 11.307633 | -.00379702 |
| 6 | 5p | 1.229586 | -.13018025 |
| 7 | 4p | .838340 | .03324955 |
| 8 | 5p | 35.899816 | -.00006752 |
| 9 | 4p | 63.267146 | -.00000475 |
| 10 | 3p | .586568 | -.00842627 |
| ORB.ENERGY,a.u. | -1.301800 | ||
| NORM | .999998 | < R > | 3.316977 | < R2 > | 12.418847 | < 1/R > | .411194 | < 1/R**2 > | .448709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.787007 | 1.37654320 |
| 2 | 3p | 6.240036 | -.46874192 |
| 3 | 4p | 7.797042 | .08883007 |
| 4 | 5p | 1.851032 | .07345877 |
| 5 | 4p | 1.645008 | -.11317093 |
| 6 | 4p | 19.538725 | -.00250161 |
| 7 | 3p | 22.141116 | -.00082613 |
| 8 | 3p | 1.382115 | .05166773 |
| ORB.ENERGY,a.u. | -8.428000 | ||
| NORM | 1.000000 | < R > | .509506 | < R2 > | .318623 | < 1/R > | 2.512686 | < 1/R**2 > | 8.671155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.486262 | .37802565 |
| 2 | 2s | 5.346093 | -.84624657 |
| 3 | 3s | 5.032837 | -.28263233 |
| 4 | 4s | 21.531524 | .00229511 |
| 5 | 3s | 12.422622 | .01683312 |
| 6 | 5s | 5.126942 | -.01684411 |
| 7 | 4s | 1.516401 | .00015679 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569723 | < R2 > | .382345 | < 1/R > | 2.556823 | < 1/R**2 > | 26.688340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.168402 | .91994938 |
| 2 | 1s | 18.714200 | .07895530 |
| 3 | 2s | 10.820390 | .01804562 |
| 4 | 3s | 15.239258 | -.01488545 |
| 5 | 4s | 23.752019 | .00309975 |
| 6 | 5s | 41.982876 | .00013718 |
| 7 | 5s | 9.392576 | .00076658 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119834 | < R2 > | .019287 | < 1/R > | 12.616503 | < 1/R**2 > | 321.190118 |
Total Energy= -224.43819825 a.u.
Kinetic Energy= 224.41989059 a.u.
Potential Energy= -448.85808885 a.u.
Virial Ratio = -2.00008158