(1s 2 2s 2 2p 2 4d 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | 2.969569 | 1.22485121 |
| 2 | 4d | 2.507017 | -1.75719193 |
| 3 | 3d | 6.114752 | .05829723 |
| 4 | 5d | 9.065115 | -.01068413 |
| 5 | 4d | 20.758710 | .00008298 |
| 6 | 5d | 2.242629 | .01300535 |
| 7 | 3d | 23.476366 | .00009524 |
| ORB.ENERGY,a.u. | -3.231000 | ||
| NORM | 1.000000 | < R > | 2.019257 | < R2 > | 4.672245 | < 1/R > | .658484 | < 1/R**2 > | .717469 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.302238 | 1.14306696 |
| 2 | 3p | 7.404299 | -.16480844 |
| 3 | 2p | 15.477328 | .01928561 |
| 4 | 4p | 18.342673 | .00486448 |
| 5 | 5p | 29.564788 | -.00076594 |
| 6 | 5p | 4.242371 | -.00021360 |
| 7 | 4p | 90.023338 | .00001056 |
| ORB.ENERGY,a.u. | -17.885000 | ||
| NORM | 1.000000 | < R > | .378661 | < R2 > | .174044 | < 1/R > | 3.349024 | < 1/R**2 > | 15.233994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.626570 | .42153866 |
| 2 | 2s | 6.968614 | -.86236769 |
| 3 | 3s | 7.093228 | -.28399371 |
| 4 | 4s | 26.746595 | .00207911 |
| 5 | 3s | 15.048095 | .01646580 |
| 6 | 5s | 7.140789 | -.02202156 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433603 | < R2 > | .220364 | < 1/R > | 3.381897 | < 1/R**2 > | 46.414406 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672160 |
| 2 | 1s | 23.113405 | .07200666 |
| 3 | 2s | 14.131446 | .01947580 |
| 4 | 3s | 17.754911 | -.01558688 |
| 5 | 5s | 37.725258 | .00090137 |
| 6 | 4s | 89.248296 | -.00003615 |
| 7 | 5s | 11.782884 | .00037227 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626967 | < 1/R**2 > | 491.751621 |
Total Energy= -338.15400593 a.u.
Kinetic Energy= 338.15942656 a.u.
Potential Energy= -676.31343249 a.u.
Virial Ratio = -1.99998397