(1s 2 2s 2 2p 4 5d 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 1.933796 | 1.18028361 |
| 2 | 4d | 1.425244 | -4.98941818 |
| 3 | 5d | 1.416367 | 4.57997117 |
| 4 | 3d | 4.635781 | .06542183 |
| 5 | 5d | 6.882367 | -.01535073 |
| 6 | 4d | 12.901762 | .00104854 |
| 7 | 5d | 1.200906 | -.03470113 |
| 8 | 3d | 17.961132 | .00021544 |
| ORB.ENERGY,a.u. | -1.011800 | ||
| NORM | 1.000000 | < R > | 4.748138 | < R2 > | 25.642969 | < 1/R > | .297484 | < 1/R**2 > | .191525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.128196 | 1.17808357 |
| 2 | 3p | 5.957418 | -.24847942 |
| 3 | 2p | 11.518337 | .06793639 |
| 4 | 4p | 13.494219 | .01254585 |
| 5 | 5p | 35.553620 | -.00014407 |
| 6 | 5p | .930285 | .00003183 |
| 7 | 4p | 4.639485 | -.00161744 |
| ORB.ENERGY,a.u. | -10.985000 | ||
| NORM | 1.000000 | < R > | .440974 | < R2 > | .238631 | < 1/R > | 2.912985 | < 1/R**2 > | 11.695336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.024510 | .38705126 |
| 2 | 2s | 6.246273 | -.85278212 |
| 3 | 3s | 5.596339 | -.30191655 |
| 4 | 4s | 16.913750 | .00745046 |
| 5 | 3s | 18.987926 | .00620483 |
| 6 | 5s | 30.994449 | .00067682 |
| 7 | 5s | 6.620268 | .00925271 |
| 8 | 3s | 47.930486 | -.00006717 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489517 | < R2 > | .282391 | < 1/R > | 2.983993 | < 1/R**2 > | 36.419212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210879 | .92279687 |
| 2 | 1s | 20.929100 | .07367263 |
| 3 | 2s | 8.784790 | .02035384 |
| 4 | 3s | 10.789911 | -.02029565 |
| 5 | 4s | 13.364406 | .00939277 |
| 6 | 5s | 35.991777 | .00085897 |
| 7 | 4s | 85.200330 | -.00003418 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103535 | < R2 > | .014395 | < 1/R > | 14.597141 | < 1/R**2 > | 429.676166 |
Total Energy= -317.70277587 a.u.
Kinetic Energy= 317.69964153 a.u.
Potential Energy= -635.40241740 a.u.
Virial Ratio = -2.00000987