(1s 2 2s 2 2p 6 5p 1 ) 2 P P 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 8.366068 | .04421481 |
| 2 | 2p | 3.964993 | .12532680 |
| 3 | 3p | 1.737432 | -1.09673215 |
| 4 | 4p | 1.243974 | 3.16380483 |
| 5 | 5p | 1.107983 | -2.83272375 |
| 6 | 5p | 11.800583 | .00319117 |
| 7 | 4p | 29.595946 | -.00019281 |
| ORB.ENERGY,a.u. | -.604730 | ||
| NORM | .999999 | < R > | 6.028547 | < R2 > | 40.868631 | < 1/R > | .236784 | < 1/R**2 > | .216218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.147405 | .45622238 |
| 2 | 3p | 6.301641 | .49461228 |
| 3 | 4p | 5.069694 | .15753465 |
| 4 | 5p | 3.095829 | .01166580 |
| 5 | 2p | 17.879250 | .00423565 |
| 6 | 5p | 35.694665 | -.00014320 |
| 7 | 3p | 1.866938 | -.01942238 |
| 8 | 3p | 77.238133 | .00000247 |
| 9 | 5p | 2.146996 | .00684128 |
| ORB.ENERGY,a.u. | -7.355500 | ||
| NORM | 1.000000 | < R > | .478663 | < R2 > | .285018 | < 1/R > | 2.725207 | < 1/R**2 > | 10.405788 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.230699 | .35917675 |
| 2 | 2s | 5.978047 | -.84401491 |
| 3 | 3s | 5.097689 | -.28848610 |
| 4 | 4s | 20.340260 | .00387607 |
| 5 | 3s | 17.920065 | .00486567 |
| 6 | 4s | 1.788113 | -.00420242 |
| 7 | 5s | 40.936683 | .00019301 |
| 8 | 5s | 2.047989 | .00374387 |
| 9 | 3s | 2.974808 | .00107248 |
| ORB.ENERGY,a.u. | -9.481100 | ||
| NORM | 1.000000 | < R > | .513641 | < R2 > | .312968 | < 1/R > | 2.841014 | < 1/R**2 > | 33.247944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.569518 | 1.01444529 |
| 2 | 2s | 20.419507 | -.02231796 |
| 3 | 3s | 10.631060 | .01918482 |
| 4 | 4s | 57.698329 | -.00050676 |
| 5 | 4s | 10.078071 | .00283526 |
| 6 | 5s | 72.954362 | .00018230 |
| 7 | 5s | 12.486988 | -.00813605 |
| 8 | 2s | 2.763305 | -.00008738 |
| 9 | 2s | 3.278961 | .00020599 |
| 10 | 3s | 116.660560 | -.00001042 |
| ORB.ENERGY,a.u. | -81.507000 |
| NORM | 1.000000 | < R > | .103787 | < R2 > | .014483 | < 1/R > | 14.575216 | < 1/R**2 > | 428.686059 |
Total Energy= -334.97420268 a.u.
Kinetic Energy= 334.97422630 a.u.
Potential Energy= -669.94842898 a.u.
Virial Ratio = -1.99999993