(1s 2 2s 2 2p 4 3d 1 ) 4 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3d- electron | |
| 1 | 3d | 1.833097 | 1.16279638 |
| 2 | 3d | 4.866132 | .05034380 |
| 3 | 4d | 2.303833 | -.19810751 |
| 4 | 5d | 7.469133 | -.00252299 |
| 5 | 5d | 1.690158 | .01553925 |
| 6 | 4d | 29.746215 | .00003689 |
| ORB.ENERGY,a.u. | -1.490800 | ||
| NORM | 1.000000 | < R > | 1.874088 | < R2 > | 4.086226 | < 1/R > | .639713 | < 1/R**2 > | .512182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.826412 | 1.30613920 |
| 2 | 3p | 4.371826 | -.42551154 |
| 3 | 2p | 9.202149 | .10767771 |
| 4 | 4p | 10.188469 | .02424818 |
| 5 | 5p | 16.956013 | .00181943 |
| 6 | 5p | 3.133948 | .00538863 |
| 7 | 4p | 3.311047 | -.01738994 |
| ORB.ENERGY,a.u. | -6.293200 | ||
| NORM | 1.000000 | < R > | .539640 | < R2 > | .360022 | < 1/R > | 2.399540 | < 1/R**2 > | 8.005041 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.560324 | .36327208 |
| 2 | 2s | 5.245988 | -.83733457 |
| 3 | 3s | 4.621363 | -.29580997 |
| 4 | 4s | 15.603033 | .00938486 |
| 5 | 3s | 17.191049 | .00545340 |
| 6 | 5s | 30.957165 | .00054717 |
| 7 | 5s | 4.140997 | -.00458283 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .586332 | < R2 > | .406689 | < 1/R > | 2.483368 | < 1/R**2 > | 25.281925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252945 | .92402879 |
| 2 | 1s | 18.422076 | .07306644 |
| 3 | 2s | 7.100117 | .02043551 |
| 4 | 3s | 8.775151 | -.02081667 |
| 5 | 4s | 11.112994 | .00991192 |
| 6 | 5s | 30.812012 | .00086628 |
| 7 | 4s | 67.374525 | -.00005207 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .119994 | < R2 > | .019351 | < 1/R > | 12.606146 | < 1/R**2 > | 320.786929 |
Total Energy= -231.50068288 a.u.
Kinetic Energy= 231.53857877 a.u.
Potential Energy= -463.03926165 a.u.
Virial Ratio = -1.99983633