(1s 2 2s 2 2p 5 5d 1 ) 1 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 5d- electron | |
| 1 | 3d | 1.724624 | 1.73827761 |
| 2 | 4d | 1.444677 | -5.41077230 |
| 3 | 5d | 1.395046 | 4.44798547 |
| 4 | 3d | 4.829854 | .02245774 |
| 5 | 5d | 7.160925 | -.00846737 |
| 6 | 4d | 13.116009 | .00126211 |
| 7 | 5d | 1.227756 | -.04754717 |
| 8 | 3d | 17.504145 | .00028369 |
| ORB.ENERGY,a.u. | -.988580 | ||
| NORM | .999998 | < R > | 4.874808 | < R2 > | 26.999255 | < 1/R > | .286386 | < 1/R**2 > | .169912 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.381264 | 1.19526334 |
| 2 | 3p | 6.352537 | -.26837865 |
| 3 | 2p | 12.096293 | .07240659 |
| 4 | 5p | 37.699108 | -.00013208 |
| 5 | 4p | 14.526056 | .01113867 |
| 6 | 5p | 3.573328 | .00060120 |
| ORB.ENERGY,a.u. | -11.680000 | ||
| NORM | 1.000000 | < R > | .419815 | < R2 > | .217061 | < 1/R > | 3.072148 | < 1/R**2 > | 13.063070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.877717 | .38239565 |
| 2 | 2s | 6.653576 | -.83816089 |
| 3 | 3s | 5.954957 | -.30403327 |
| 4 | 4s | 19.195315 | .00377971 |
| 5 | 3s | 18.296358 | .00687527 |
| 6 | 5s | 38.081362 | .00047265 |
| 7 | 5s | 4.933840 | -.00262458 |
| 8 | 4s | 3.182007 | .00107030 |
| 9 | 3s | 2.108496 | -.00034787 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462592 | < R2 > | .252586 | < 1/R > | 3.160012 | < 1/R**2 > | 40.944462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178525 | .92260213 |
| 2 | 1s | 22.237831 | .07365611 |
| 3 | 2s | 9.340676 | .02084019 |
| 4 | 3s | 11.626269 | -.02138533 |
| 5 | 4s | 14.468176 | .01062890 |
| 6 | 5s | 38.414483 | .00077054 |
| 7 | 4s | 88.685867 | -.00003326 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097012 | < R2 > | .012642 | < 1/R > | 15.580498 | < 1/R**2 > | 489.490732 |
Total Energy= -378.29746785 a.u.
Kinetic Energy= 378.27291602 a.u.
Potential Energy= -756.57038387 a.u.
Virial Ratio = -2.00006491