(1s 2 2s 2 2p 3 3p 1 ) 3 P Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 2.143523 | 1.19558064 |
| 2 | 3p | 2.319139 | -1.94940498 |
| 3 | 2p | 7.696058 | .08893822 |
| 4 | 4p | 4.078164 | -.10866445 |
| 5 | 5p | 1.921712 | -.02780726 |
| 6 | 5p | 11.878204 | .00341888 |
| 7 | 4p | 24.688194 | -.00048245 |
| 8 | 4p | 1.623260 | .01846204 |
| 9 | 3p | 35.828067 | -.00004638 |
| ORB.ENERGY,a.u. | -2.460300 | ||
| NORM | 1.000000 | < R > | 1.718318 | < R2 > | 3.328737 | < 1/R > | .740085 | < 1/R**2 > | 1.071836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.809937 | 1.36482881 |
| 2 | 3p | 6.335600 | -.44454164 |
| 3 | 4p | 7.960091 | .08144258 |
| 4 | 5p | 2.814622 | -.01878034 |
| 5 | 4p | 20.245455 | -.00233245 |
| 6 | 3p | 24.072233 | -.00056248 |
| ORB.ENERGY,a.u. | -8.012600 | ||
| NORM | 1.000000 | < R > | .505005 | < R2 > | .310113 | < 1/R > | 2.523629 | < 1/R**2 > | 8.725208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.504296 | .37618428 |
| 2 | 2s | 5.326573 | -.84608767 |
| 3 | 3s | 5.007175 | -.28208293 |
| 4 | 4s | 21.402918 | .00228256 |
| 5 | 3s | 12.548409 | .01599434 |
| 6 | 5s | 4.898886 | -.01553429 |
| 7 | 4s | 2.674771 | -.00042956 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .571118 | < R2 > | .384449 | < 1/R > | 2.550852 | < 1/R**2 > | 26.574607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.167214 | .92007183 |
| 2 | 1s | 18.724646 | .07884213 |
| 3 | 2s | 10.817396 | .01805343 |
| 4 | 3s | 15.275916 | -.01487648 |
| 5 | 4s | 23.763662 | .00309862 |
| 6 | 5s | 42.238159 | .00013584 |
| 7 | 5s | 9.576175 | .00079139 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119854 | < R2 > | .019294 | < 1/R > | 12.615145 | < 1/R**2 > | 321.136315 |
Total Energy= -225.62575909 a.u.
Kinetic Energy= 225.57782357 a.u.
Potential Energy= -451.20358266 a.u.
Virial Ratio = -2.00021250