(1s 2 2s 2 2p 5 5s 1 ) 3 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 13.641921 | .05617209 |
| 2 | 2s | 4.282372 | -.30981495 |
| 3 | 3s | 2.399361 | 1.48224379 |
| 4 | 4s | 1.740273 | -3.84934675 |
| 5 | 5s | 1.584936 | 3.27487608 |
| 6 | 5s | 12.849272 | -.01620639 |
| 7 | 4s | 16.685079 | -.01208918 |
| 8 | 5s | 42.241811 | -.00044282 |
| 9 | 4s | 62.843668 | -.00010769 |
| ORB.ENERGY,a.u. | -1.222200 | ||
| NORM | .999998 | < R > | 4.314298 | < R2 > | 20.830353 | < 1/R > | .330988 | < 1/R**2 > | 1.098172 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 6.344400 | -.27519840 |
| 2 | 2p | 12.130767 | .07126680 |
| 3 | 5p | 37.559477 | -.00013509 |
| 4 | 4p | 14.580575 | .01089733 |
| 5 | 5p | 4.014050 | .00029823 |
| 6 | 2p | 5.373959 | 1.20303557 |
| ORB.ENERGY,a.u. | -11.724000 | ||
| NORM | 1.000000 | < R > | .420012 | < R2 > | .217272 | < 1/R > | 3.070897 | < 1/R**2 > | 13.053415 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.145270 | .33219209 |
| 2 | 2s | 5.553802 | -.78281350 |
| 3 | 3s | 9.143433 | -.22739293 |
| 4 | 4s | 7.198591 | -.06114860 |
| 5 | 5s | 19.193546 | -.00763695 |
| 6 | 5s | 2.155059 | .01288865 |
| 7 | 4s | 1.732889 | -.01320201 |
| 8 | 4s | 67.730916 | -.00003291 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462564 | < R2 > | .252561 | < 1/R > | 3.160249 | < 1/R**2 > | 40.950852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178525 | .92256948 |
| 2 | 1s | 22.221439 | .07375354 |
| 3 | 2s | 9.185427 | .02100986 |
| 4 | 3s | 11.445114 | -.02179671 |
| 5 | 4s | 14.347321 | .01078017 |
| 6 | 5s | 38.358451 | .00078019 |
| 7 | 4s | 89.327773 | -.00003349 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097012 | < R2 > | .012642 | < 1/R > | 15.580463 | < 1/R**2 > | 489.488210 |
Total Energy= -378.50295896 a.u.
Kinetic Energy= 378.50476426 a.u.
Potential Energy= -757.00772321 a.u.
Virial Ratio = -1.99999523