(1s 2 2s 2 2p 4 3p 1 ) 2 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3.979095 | .30868165 |
| 2 | 3p | 1.929049 | -.84860937 |
| 3 | 4p | 2.504607 | -.22980910 |
| 4 | 2p | 7.858903 | .07450303 |
| 5 | 5p | 11.933774 | .00432614 |
| 6 | 5p | 31.632187 | -.00032164 |
| 7 | 4p | 48.087338 | -.00005596 |
| ORB.ENERGY,a.u. | -1.849500 | ||
| NORM | 1.000000 | < R > | 1.879489 | < R2 > | 4.021864 | < 1/R > | .700290 | < 1/R**2 > | 1.044274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.165583 | 1.22564948 |
| 2 | 3p | 4.909688 | -.29880381 |
| 3 | 2p | 9.946381 | .06976607 |
| 4 | 4p | 11.559741 | .01467665 |
| 5 | 5p | 29.956596 | -.00015218 |
| 6 | 5p | 2.425276 | -.00194611 |
| ORB.ENERGY,a.u. | -6.224200 | ||
| NORM | 1.000000 | < R > | .537382 | < R2 > | .356039 | < 1/R > | 2.404891 | < 1/R**2 > | 8.030422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.580612 | .36174227 |
| 2 | 2s | 5.230220 | -.83554159 |
| 3 | 3s | 4.631710 | -.29515360 |
| 4 | 4s | 15.796216 | .00967244 |
| 5 | 3s | 17.850993 | .00468266 |
| 6 | 5s | 30.961511 | .00055398 |
| 7 | 5s | 4.046894 | -.00522018 |
| 8 | 4s | 1.119374 | -.00003098 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .586957 | < R2 > | .407541 | < 1/R > | 2.480221 | < 1/R**2 > | 25.220421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252706 | .92387752 |
| 2 | 1s | 18.451577 | .07290509 |
| 3 | 2s | 7.575046 | .01932043 |
| 4 | 3s | 9.376108 | -.01881395 |
| 5 | 4s | 11.629642 | .00954655 |
| 6 | 5s | 30.907414 | .00088279 |
| 7 | 4s | 67.898245 | -.00005041 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120024 | < R2 > | .019363 | < 1/R > | 12.604121 | < 1/R**2 > | 320.706332 |
Total Energy= -231.90523047 a.u.
Kinetic Energy= 231.89638508 a.u.
Potential Energy= -463.80161555 a.u.
Virial Ratio = -2.00003814