(1s 2 2s 2 2p 6 4p 1 ) 2 P P 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 5p | 1.578058 | 1.09478636 |
| 2 | 5p | 8.522253 | -.01512445 |
| 3 | 3p | 3.062439 | -.15324898 |
| 4 | 2p | .925089 | .13142923 |
| 5 | 3p | 16.845819 | -.00073823 |
| 6 | 2p | 5.338823 | .28301236 |
| 7 | 3p | 7.738623 | -.07260353 |
| 8 | 4p | 2.546632 | -.65096366 |
| ORB.ENERGY,a.u. | -.997770 | ||
| NORM | 1.000001 | < R > | 3.592767 | < R2 > | 14.600425 | < 1/R > | .388338 | < 1/R**2 > | .457638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.150858 | .45551450 |
| 2 | 3p | 6.302298 | .49523871 |
| 3 | 4p | 5.064162 | .15778430 |
| 4 | 5p | 3.149804 | .01111881 |
| 5 | 2p | 17.857677 | .00424301 |
| 6 | 5p | 35.791518 | -.00014612 |
| 7 | 3p | 1.892677 | -.01897320 |
| 8 | 3p | 79.330311 | .00000239 |
| 9 | 5p | 2.213955 | .00692500 |
| ORB.ENERGY,a.u. | -7.355500 | ||
| NORM | 1.000000 | < R > | .478935 | < R2 > | .285392 | < 1/R > | 2.724069 | < 1/R**2 > | 10.398407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.232510 | .35894764 |
| 2 | 2s | 5.976792 | -.84381849 |
| 3 | 3s | 5.098397 | -.28792789 |
| 4 | 4s | 20.599746 | .00336327 |
| 5 | 3s | 17.493477 | .00545039 |
| 6 | 4s | 3.235590 | -.00050469 |
| 7 | 5s | 40.385994 | .00017279 |
| 8 | 5s | 1.901469 | .00015480 |
| 9 | 2s | 121.177791 | .00000060 |
| ORB.ENERGY,a.u. | -9.481100 | ||
| NORM | 1.000000 | < R > | .513875 | < R2 > | .313290 | < 1/R > | 2.839824 | < 1/R**2 > | 33.222659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.569369 | 1.01444775 |
| 2 | 2s | 20.424613 | -.02232321 |
| 3 | 3s | 10.625684 | .01919935 |
| 4 | 4s | 57.550442 | -.00050454 |
| 5 | 4s | 10.070104 | .00284116 |
| 6 | 5s | 72.727105 | .00018208 |
| 7 | 5s | 12.476176 | -.00815191 |
| 8 | 2s | 2.822739 | -.00007901 |
| 9 | 2s | 3.373828 | .00019711 |
| 10 | 3s | 116.077286 | -.00001005 |
| ORB.ENERGY,a.u. | -81.507000 |
| NORM | 1.000000 | < R > | .103790 | < R2 > | .014483 | < 1/R > | 14.574998 | < 1/R**2 > | 428.676076 |
Total Energy= -335.36705582 a.u.
Kinetic Energy= 335.36707317 a.u.
Potential Energy= -670.73412899 a.u.
Virial Ratio = -1.99999995