(1s 2 2s 2 2p 4 5d 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | 1.296127 | 1.46438136 |
| 2 | 4d | 1.036405 | -4.86801576 |
| 3 | 5d | .996499 | 4.16421097 |
| 4 | 3d | 3.707219 | .03839890 |
| 5 | 5d | 5.451723 | -.01188655 |
| 6 | 4d | 10.946320 | .00095613 |
| 7 | 5d | .822146 | -.03810151 |
| 8 | 3d | 15.484897 | .00016281 |
| ORB.ENERGY,a.u. | -.507220 | ||
| NORM | 1.000003 | < R > | 6.772859 | < R2 > | 52.172504 | < 1/R > | .207872 | < 1/R**2 > | .092000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.178429 | 1.23372934 |
| 2 | 3p | 4.942733 | -.30474538 |
| 3 | 2p | 10.016812 | .06691827 |
| 4 | 4p | 11.607236 | .01443467 |
| 5 | 5p | 2.719538 | .00036391 |
| 6 | 5p | 29.475788 | -.00015988 |
| ORB.ENERGY,a.u. | -6.686900 | ||
| NORM | 1.000000 | < R > | .537158 | < R2 > | .356035 | < 1/R > | 2.406890 | < 1/R**2 > | 8.044536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.552642 | .36417156 |
| 2 | 2s | 5.233435 | -.84617673 |
| 3 | 3s | 4.514740 | -.30150438 |
| 4 | 4s | 15.725334 | .01006907 |
| 5 | 3s | 17.789433 | .00486743 |
| 6 | 5s | 31.003929 | .00055812 |
| 7 | 5s | 5.135624 | .01322760 |
| 8 | 4s | 1.742440 | .00003591 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585244 | < R2 > | .404866 | < 1/R > | 2.487072 | < 1/R**2 > | 25.347873 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92402737 |
| 2 | 1s | 18.421299 | .07307119 |
| 3 | 2s | 7.090895 | .02047248 |
| 4 | 3s | 8.762289 | -.02084873 |
| 5 | 4s | 11.100511 | .00993239 |
| 6 | 5s | 30.627647 | .00085535 |
| 7 | 4s | 67.788995 | -.00005638 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120001 | < R2 > | .019354 | < 1/R > | 12.605712 | < 1/R**2 > | 320.769427 |
Total Energy= -230.56496187 a.u.
Kinetic Energy= 230.55478363 a.u.
Potential Energy= -461.11974549 a.u.
Virial Ratio = -2.00004415