(1s 2 2s 2 2p 3 5s 1 ) 3 S Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 10.755466 | .05709649 |
| 2 | 2s | 3.492105 | -.34588954 |
| 3 | 3s | 1.735705 | 2.37848383 |
| 4 | 4s | 1.549120 | -4.44669344 |
| 5 | 5s | 1.317327 | 2.92057120 |
| 6 | 4s | 11.102574 | -.00727909 |
| 7 | 5s | 26.215494 | .00010558 |
| ORB.ENERGY,a.u. | -.872420 | ||
| NORM | 1.000000 | < R > | 5.176140 | < R2 > | 29.982502 | < 1/R > | .272905 | < 1/R**2 > | .693477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.777945 | 1.38041873 |
| 2 | 3p | 6.165700 | -.48112978 |
| 3 | 4p | 7.583593 | .09497988 |
| 4 | 5p | 21.893692 | -.00259328 |
| 5 | 4p | 3.197507 | .01374980 |
| 6 | 4p | 28.210277 | -.00136947 |
| 7 | 5p | 3.239254 | -.00707089 |
| 8 | 3p | 1.996980 | .00063321 |
| 9 | 3p | 38.564740 | -.00012983 |
| ORB.ENERGY,a.u. | -8.612900 | ||
| NORM | 1.000000 | < R > | .510634 | < R2 > | .319100 | < 1/R > | 2.508090 | < 1/R**2 > | 8.646086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.388587 | .33468773 |
| 2 | 2s | 4.572570 | -.78528853 |
| 3 | 3s | 7.274649 | -.24845829 |
| 4 | 4s | 20.768489 | .00379871 |
| 5 | 5s | 6.598921 | -.04953702 |
| 6 | 4s | 1.245185 | .02552223 |
| 7 | 5s | 1.709308 | -.02510387 |
| 8 | 2s | 31.570471 | -.00015091 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .568689 | < R2 > | .381444 | < 1/R > | 2.562017 | < 1/R**2 > | 26.789826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.168607 | .92026932 |
| 2 | 1s | 18.767518 | .07845753 |
| 3 | 2s | 11.115888 | .01796362 |
| 4 | 3s | 15.409836 | -.01468772 |
| 5 | 4s | 24.053733 | .00300489 |
| 6 | 5s | 41.709785 | .00011862 |
| 7 | 5s | 9.812364 | .00104660 |
| 8 | 4s | 1.459209 | .00302855 |
| 9 | 3s | 1.058603 | -.00308951 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119829 | < R2 > | .019290 | < 1/R > | 12.616955 | < 1/R**2 > | 321.208033 |
Total Energy= -223.99699055 a.u.
Kinetic Energy= 223.99010873 a.u.
Potential Energy= -447.98709928 a.u.
Virial Ratio = -2.00003072