(1s 2 2s 2 2p 6 4s 1 ) 2 S P 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 12.255818 | .07018264 |
| 2 | 2s | 4.920526 | -.26948418 |
| 3 | 3s | 1.983698 | 1.08754212 |
| 4 | 4s | 1.559019 | -1.62241006 |
| 5 | 5s | 3.478916 | .12403378 |
| 6 | 5s | 15.710712 | -.00394236 |
| 7 | 3s | 64.384908 | -.00005233 |
| 8 | 2s | 19.722416 | .00022443 |
| 9 | 4s | 99.243147 | .00001931 |
| ORB.ENERGY,a.u. | -1.140400 | ||
| NORM | .999999 | < R > | 3.316988 | < R2 > | 12.366915 | < 1/R > | .417889 | < 1/R**2 > | 1.360742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.150766 | .45541914 |
| 2 | 3p | 6.302188 | .49534885 |
| 3 | 4p | 5.060288 | .15787256 |
| 4 | 5p | 3.165561 | .01104649 |
| 5 | 2p | 17.848728 | .00424808 |
| 6 | 5p | 35.825264 | -.00014911 |
| 7 | 3p | 1.896083 | -.01895694 |
| 8 | 3p | 81.460084 | .00000234 |
| 9 | 5p | 2.210327 | .00690641 |
| ORB.ENERGY,a.u. | -7.355500 | ||
| NORM | 1.000000 | < R > | .479020 | < R2 > | .285507 | < 1/R > | 2.723720 | < 1/R**2 > | 10.396097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.228902 | .35933254 |
| 2 | 2s | 5.980315 | -.84417739 |
| 3 | 3s | 5.101339 | -.28795529 |
| 4 | 4s | 20.414205 | .00346933 |
| 5 | 3s | 17.584207 | .00539560 |
| 6 | 4s | 2.359147 | -.00055783 |
| 7 | 5s | 39.930730 | .00019241 |
| 8 | 5s | 2.002662 | .00042951 |
| 9 | 2s | 131.581479 | .00000052 |
| ORB.ENERGY,a.u. | -9.481100 | ||
| NORM | 1.000000 | < R > | .513578 | < R2 > | .312907 | < 1/R > | 2.841559 | < 1/R**2 > | 33.261280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.569597 | 1.01444295 |
| 2 | 2s | 20.414315 | -.02231135 |
| 3 | 3s | 10.633985 | .01917428 |
| 4 | 4s | 57.915180 | -.00050944 |
| 5 | 4s | 10.100059 | .00282072 |
| 6 | 5s | 73.230221 | .00018273 |
| 7 | 5s | 12.501209 | -.00811459 |
| 8 | 2s | 2.622461 | -.00010406 |
| 9 | 2s | 3.120473 | .00022204 |
| 10 | 3s | 117.605518 | -.00001093 |
| ORB.ENERGY,a.u. | -81.507000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575355 | < 1/R**2 > | 428.691586 |
Total Energy= -335.50825743 a.u.
Kinetic Energy= 335.50825901 a.u.
Potential Energy= -671.01651645 a.u.
Virial Ratio = -2.00000000