(1s 2 2s 2 2p 2 4p 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 5.502113 | .21410690 |
| 2 | 3p | 1.238996 | -.41133728 |
| 3 | 5p | 1.770191 | 1.39861465 |
| 4 | 4p | 2.750841 | -.70335930 |
| 5 | 5p | 7.087798 | .02387665 |
| 6 | 4p | 17.168610 | -.00238460 |
| 7 | 5p | 1.443249 | .18561179 |
| 8 | 5p | 39.796514 | -.00019925 |
| 9 | 4p | 61.640048 | -.00003893 |
| ORB.ENERGY,a.u. | -1.299900 | ||
| NORM | .999999 | < R > | 3.318483 | < R2 > | 12.448155 | < 1/R > | .423616 | < 1/R**2 > | .513453 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.344625 | 1.21315701 |
| 2 | 3p | 5.242253 | -.23580261 |
| 3 | 2p | 11.689868 | .01997716 |
| 4 | 4p | 12.780269 | .00447368 |
| 5 | 5p | 1.884385 | -.00540157 |
| 6 | 5p | 25.467228 | -.00036083 |
| 7 | 4p | 1.662989 | .00536637 |
| ORB.ENERGY,a.u. | -7.850100 | ||
| NORM | 1.000000 | < R > | .544922 | < R2 > | .362298 | < 1/R > | 2.342046 | < 1/R**2 > | 7.509993 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.755014 | .37657857 |
| 2 | 2s | 4.924468 | -.82955946 |
| 3 | 3s | 5.100498 | -.27015677 |
| 4 | 4s | 19.776575 | .00258322 |
| 5 | 3s | 11.516530 | .01818116 |
| 6 | 5s | 5.073323 | -.04420111 |
| 7 | 4s | 1.286298 | .00016843 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610792 | < R2 > | .438551 | < 1/R > | 2.382522 | < 1/R**2 > | 23.094173 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.155675 | .91175560 |
| 2 | 1s | 17.177396 | .08816701 |
| 3 | 2s | 10.269273 | .01907039 |
| 4 | 3s | 13.086814 | -.01555782 |
| 5 | 5s | 28.461500 | .00121197 |
| 6 | 4s | 69.256412 | -.00003907 |
| 7 | 5s | 9.063770 | .00061799 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129934 | < R2 > | .022666 | < 1/R > | 11.633944 | < 1/R**2 > | 273.136415 |
Total Energy= -181.29115164 a.u.
Kinetic Energy= 181.29915419 a.u.
Potential Energy= -362.59030583 a.u.
Virial Ratio = -1.99995586