(1s 2 2s 2 2p 1 5d 1 ) 1 F S 10+
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 | 2.181772 | 3.61577151 |
| 2 | 4d | 2.202663 | -9.06278983 |
| 3 | 5d | 2.215048 | 6.11484638 |
| 4 | 5d | 1.602848 | .01975181 |
| 5 | 5d | 9.744931 | -.00778389 |
| 6 | 3d | 6.550143 | .02556546 |
| 7 | 4d | 24.373751 | .00005137 |
| 8 | 4d | 1.157135 | -.00559129 |
| 9 | 3d | 25.131342 | .00006207 |
| ORB.ENERGY,a.u. | -2.436500 | ||
| NORM | .999996 | < R > | 3.109324 | < R2 > | 10.981126 | < 1/R > | .447802 | < 1/R**2 > | .411033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.675271 | 1.08011196 |
| 2 | 3p | 8.274490 | -.09378072 |
| 3 | 2p | 15.541388 | .01380233 |
| 4 | 5p | 17.713349 | .00218434 |
| 5 | 4p | 31.204323 | -.00064942 |
| 6 | 5p | 5.557271 | .00242270 |
| 7 | 5p | 92.526635 | -.00001464 |
| 8 | 3p | 1.232851 | -.00020748 |
| ORB.ENERGY,a.u. | -20.242000 | ||
| NORM | 1.000000 | < R > | .367288 | < R2 > | .163223 | < 1/R > | 3.439174 | < 1/R**2 > | 15.990338 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754372 | .37955408 |
| 2 | 2s | 6.121521 | -.81190283 |
| 3 | 3s | 8.800700 | -.28440289 |
| 4 | 4s | 29.884511 | .00123959 |
| 5 | 5s | 17.216574 | -.00993034 |
| 6 | 5s | 6.811086 | .01770113 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424167 | < R2 > | .210459 | < 1/R > | 3.462214 | < 1/R**2 > | 48.461664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176552 | .93679449 |
| 2 | 1s | 24.010007 | .06062005 |
| 3 | 2s | 14.583802 | .02461849 |
| 4 | 3s | 23.059735 | -.00900888 |
| 5 | 4s | 19.341049 | -.01163078 |
| 6 | 5s | 40.537264 | .00068252 |
| 7 | 5s | 9.294946 | .00005910 |
| 8 | 3s | 65.098349 | -.00005002 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012435 | < 1/R > | 15.647460 | < 1/R**2 > | 492.755719 |
Total Energy= -318.85445205 a.u.
Kinetic Energy= 318.82010752 a.u.
Potential Energy= -637.67455957 a.u.
Virial Ratio = -2.00010772