(1s 2 2s 2 2p 4 4d 1 ) 2 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.409452 | 1.44199127 |
| 2 | 4d | 1.250442 | -1.94088491 |
| 3 | 3d | 5.837283 | .01247687 |
| 4 | 4d | 3.655097 | .01477522 |
| 5 | 5d | 14.327109 | -.00013754 |
| ORB.ENERGY,a.u. | -.793760 | ||
| NORM | 1.000001 | < R > | 4.114221 | < R2 > | 19.403057 | < 1/R > | .323108 | < 1/R**2 > | .172396 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.188884 | 1.23178888 |
| 2 | 3p | 4.968861 | -.30165306 |
| 3 | 2p | 10.031757 | .06603109 |
| 4 | 4p | 11.574077 | .01429741 |
| 5 | 5p | 2.403065 | .00059125 |
| 6 | 5p | 30.231301 | -.00015466 |
| ORB.ENERGY,a.u. | -6.540500 | ||
| NORM | 1.000000 | < R > | .537093 | < R2 > | .355940 | < 1/R > | 2.407093 | < 1/R**2 > | 8.045627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.568300 | .36325545 |
| 2 | 2s | 5.242507 | -.83689483 |
| 3 | 3s | 4.641128 | -.29549110 |
| 4 | 4s | 15.576365 | .00885202 |
| 5 | 3s | 16.886030 | .00575503 |
| 6 | 5s | 30.940993 | .00054244 |
| 7 | 5s | 4.440226 | -.00371501 |
| 8 | 4s | 1.425603 | .00005558 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585457 | < R2 > | .405211 | < 1/R > | 2.486298 | < 1/R**2 > | 25.333876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92402709 |
| 2 | 1s | 18.421288 | .07307121 |
| 3 | 2s | 7.090583 | .02047386 |
| 4 | 3s | 8.761994 | -.02084941 |
| 5 | 4s | 11.100188 | .00993270 |
| 6 | 5s | 30.624038 | .00085533 |
| 7 | 4s | 67.793241 | -.00005639 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120001 | < R2 > | .019354 | < 1/R > | 12.605706 | < 1/R**2 > | 320.769210 |
Total Energy= -230.85922429 a.u.
Kinetic Energy= 230.84132324 a.u.
Potential Energy= -461.70054753 a.u.
Virial Ratio = -2.00007755