(1s 2 2s 2 2p 5 5d 1 ) 1 F S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 1.899018 | 1.23031991 |
| 2 | 4d | 1.488497 | -4.25799405 |
| 3 | 5d | 1.411086 | 3.76008619 |
| 4 | 3d | 4.180371 | .07205131 |
| 5 | 5d | 6.227310 | -.01682840 |
| 6 | 4d | 11.606189 | .00393398 |
| 7 | 5d | 1.232526 | -.05082173 |
| 8 | 3d | 15.839356 | .00068597 |
| ORB.ENERGY,a.u. | -1.012800 | ||
| NORM | .999999 | < R > | 4.744506 | < R2 > | 25.603378 | < 1/R > | .297703 | < 1/R**2 > | .191877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.373202 | 1.20325402 |
| 2 | 3p | 6.343251 | -.27556569 |
| 3 | 2p | 12.128410 | .07138246 |
| 4 | 5p | 37.223788 | -.00013718 |
| 5 | 4p | 14.597636 | .01092270 |
| 6 | 5p | 4.181062 | .00033334 |
| ORB.ENERGY,a.u. | -11.704000 | ||
| NORM | 1.000000 | < R > | .420004 | < R2 > | .217275 | < 1/R > | 3.071098 | < 1/R**2 > | 13.055590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.884343 | .38207971 |
| 2 | 2s | 6.654633 | -.83799509 |
| 3 | 3s | 5.963373 | -.30378547 |
| 4 | 4s | 18.256103 | .00462626 |
| 5 | 3s | 19.241124 | .00669869 |
| 6 | 5s | 34.915746 | .00050049 |
| 7 | 5s | 5.320982 | -.00369303 |
| 8 | 4s | 3.815311 | .00133308 |
| 9 | 3s | 2.722500 | -.00034252 |
| 10 | 2s | 86.766378 | .00000601 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462609 | < R2 > | .252607 | < 1/R > | 3.159894 | < 1/R**2 > | 40.941490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178710 | .92259631 |
| 2 | 1s | 22.236054 | .07366064 |
| 3 | 2s | 9.339861 | .02084218 |
| 4 | 3s | 11.625533 | -.02138662 |
| 5 | 4s | 14.468734 | .01062804 |
| 6 | 5s | 38.385148 | .00077114 |
| 7 | 4s | 88.758096 | -.00003417 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097011 | < R2 > | .012641 | < 1/R > | 15.580562 | < 1/R**2 > | 489.493902 |
Total Energy= -378.30069001 a.u.
Kinetic Energy= 378.29718157 a.u.
Potential Energy= -756.59787159 a.u.
Virial Ratio = -2.00000927