(1s 2 2s 2 2p 4 3p 1 ) 4 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 4.145621 | .31993668 |
| 2 | 3p | 1.951509 | -.85609339 |
| 3 | 4p | 2.557504 | -.21644881 |
| 4 | 2p | 7.922845 | .07348094 |
| 5 | 5p | 11.653891 | .00588056 |
| 6 | 5p | 30.983876 | -.00039478 |
| 7 | 4p | 46.987825 | -.00007047 |
| ORB.ENERGY,a.u. | -1.876500 | ||
| NORM | 1.000000 | < R > | 1.843802 | < R2 > | 3.887771 | < 1/R > | .726513 | < 1/R**2 > | 1.150532 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.111985 | 1.26967465 |
| 2 | 2p | 9.970876 | .06853431 |
| 3 | 3p | 4.844036 | -.34259952 |
| 4 | 4p | 11.538520 | .01427338 |
| 5 | 5p | 30.700111 | -.00015791 |
| 6 | 5p | 3.039457 | .01178576 |
| 7 | 4p | 2.785080 | -.01171884 |
| ORB.ENERGY,a.u. | -6.251200 | ||
| NORM | 1.000000 | < R > | .539349 | < R2 > | .359560 | < 1/R > | 2.400105 | < 1/R**2 > | 8.006544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.579228 | .36178641 |
| 2 | 2s | 5.231566 | -.83544702 |
| 3 | 3s | 4.633025 | -.29513351 |
| 4 | 4s | 15.738664 | .00969445 |
| 5 | 3s | 17.791388 | .00476409 |
| 6 | 5s | 30.836738 | .00056840 |
| 7 | 5s | 4.086533 | -.00567471 |
| 8 | 4s | 1.373770 | -.00004867 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .587030 | < R2 > | .407671 | < 1/R > | 2.480006 | < 1/R**2 > | 25.216842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.253027 | .92382196 |
| 2 | 1s | 18.448969 | .07293029 |
| 3 | 2s | 7.570291 | .01938551 |
| 4 | 3s | 9.364677 | -.01884358 |
| 5 | 4s | 11.623134 | .00953778 |
| 6 | 5s | 30.901084 | .00088607 |
| 7 | 4s | 68.033932 | -.00005013 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120024 | < R2 > | .019363 | < 1/R > | 12.604107 | < 1/R**2 > | 320.705725 |
Total Energy= -231.90433296 a.u.
Kinetic Energy= 231.92335027 a.u.
Potential Energy= -463.82768323 a.u.
Virial Ratio = -1.99991800