(1s 2 2s 2 2p 2 5p 1 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 3.172876 | .31989099 |
| 2 | 3p | 1.749197 | -2.92928710 |
| 3 | 4p | 1.538219 | 6.84540104 |
| 4 | 5p | 1.469056 | -4.83475627 |
| 5 | 2p | 7.897065 | .03713519 |
| 6 | 5p | 29.032992 | -.00029007 |
| 7 | 5p | 1.202679 | -.02816203 |
| 8 | 4p | 45.346777 | -.00004569 |
| ORB.ENERGY,a.u. | -1.063600 | ||
| NORM | 1.000003 | < R > | 4.805392 | < R2 > | 25.955818 | < 1/R > | .291874 | < 1/R**2 > | .273135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.043672 | 1.26979166 |
| 2 | 3p | 6.724948 | -.33278370 |
| 3 | 4p | 8.621102 | .06112835 |
| 4 | 5p | 1.800339 | .10661993 |
| 5 | 4p | 1.411447 | -.12300426 |
| 6 | 5p | 26.447508 | -.00135857 |
| 7 | 4p | 36.831770 | -.00039222 |
| 8 | 3p | 1.434783 | .01738752 |
| 9 | 4p | 89.736327 | -.00000874 |
| ORB.ENERGY,a.u. | -10.141000 | ||
| NORM | 1.000000 | < R > | .489985 | < R2 > | .296061 | < 1/R > | 2.600567 | < 1/R**2 > | 9.228060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525825 | .38741001 |
| 2 | 2s | 5.404520 | -.83570104 |
| 3 | 3s | 5.646361 | -.27283296 |
| 4 | 4s | 21.163824 | .00248457 |
| 5 | 3s | 12.753827 | .01553306 |
| 6 | 5s | 5.594798 | -.03659933 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553661 | < R2 > | .359927 | < 1/R > | 2.634489 | < 1/R**2 > | 28.216091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159078 | .91996664 |
| 2 | 1s | 18.805852 | .07951867 |
| 3 | 2s | 11.284389 | .01919830 |
| 4 | 3s | 14.398012 | -.01548850 |
| 5 | 5s | 30.658158 | .00111394 |
| 6 | 4s | 73.351245 | -.00004108 |
| 7 | 5s | 9.805318 | .00056066 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119602 | < R2 > | .019195 | < 1/R > | 12.631936 | < 1/R**2 > | 321.796218 |
Total Energy= -215.30886480 a.u.
Kinetic Energy= 215.29375064 a.u.
Potential Energy= -430.60261543 a.u.
Virial Ratio = -2.00007020