(1s 2 2s 1 4p 1 ) 3 P Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 5.198660 | .47641131 |
| 2 | 3p | 2.901578 | -1.00037020 |
| 3 | 5p | 2.704931 | 1.54936363 |
| 4 | 4p | 4.226153 | -.41155873 |
| 5 | 5p | 6.050096 | .11302681 |
| 6 | 4p | 13.575347 | -.01275550 |
| 7 | 5p | 29.951508 | -.00184185 |
| 8 | 4p | 50.699710 | -.00053643 |
| 9 | 3p | 1.589909 | .01464215 |
| 10 | 5p | 74.056536 | .00015155 |
| ORB.ENERGY,a.u. | -3.241300 | ||
| NORM | 1.000000 | < R > | 2.218370 | < R2 > | 5.580130 | < 1/R > | .649469 | < 1/R**2 > | 1.166046 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.638565 | .41659608 |
| 2 | 2s | 5.619829 | -.79024913 |
| 3 | 3s | 6.322507 | -.30714108 |
| 4 | 5s | 11.403613 | -.03459782 |
| 5 | 4s | 24.153600 | .00608664 |
| 6 | 5s | 32.462447 | -.00156127 |
| 7 | 4s | 1.317806 | .00345010 |
| 8 | 3s | 58.708097 | .00004215 |
| 9 | 5s | 1.517079 | -.00313426 |
| ORB.ENERGY,a.u. | -15.662000 | ||
| NORM | 1.000000 | < R > | .512653 | < R2 > | .306532 | < 1/R > | 2.868491 | < 1/R**2 > | 33.190217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.429804 | .94209942 |
| 2 | 1s | 20.307674 | .04745039 |
| 3 | 2s | 15.375489 | .01494923 |
| 4 | 3s | 7.522382 | .00092158 |
| 5 | 4s | 48.999925 | -.00067646 |
| 6 | 5s | 64.415227 | .00025865 |
| 7 | 5s | 15.597080 | .00106533 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119014 | < R2 > | .018970 | < 1/R > | 12.673465 | < 1/R**2 > | 323.472761 |
Total Energy= -180.42097531 a.u.
Kinetic Energy= 180.42558759 a.u.
Potential Energy= -360.84656290 a.u.
Virial Ratio = -1.99997444