(1s 2 2s 2 2p 4 5d 1 ) 4 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | .266752 | 1.54628646 |
| 2 | 4d | .201309 | -5.51959629 |
| 3 | 5d | .200002 | 4.83200995 |
| 4 | 3d | 2.371204 | .00365868 |
| 5 | 4d | .434419 | -.08404453 |
| 6 | 5d | 1.914727 | .00299382 |
| 7 | 4d | 8.887005 | .00003382 |
| ORB.ENERGY,a.u. | -.020227 | ||
| NORM | 1.000012 | < R > | 34.050048 | < R2 > | 1316.701894 | < 1/R > | .040956 | < 1/R**2 > | .003498 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212842 | .67431798 |
| 2 | 2p | 3.946295 | .31700101 |
| 3 | 2p | 9.771081 | .01607393 |
| 4 | 3p | 1.539200 | .05848776 |
| 5 | 4p | 9.452340 | .01376178 |
| 6 | 4p | .939175 | -.04477219 |
| 7 | 3p | 12.432672 | .00325678 |
| 8 | 5p | 1.046290 | .03608600 |
| ORB.ENERGY,a.u. | -1.160400 | ||
| NORM | 1.000000 | < R > | .969920 | < R2 > | 1.195444 | < 1/R > | 1.377793 | < 1/R**2 > | 2.732055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.474348 | .30349680 |
| 2 | 2s | 3.285001 | -.83724495 |
| 3 | 3s | 2.609159 | -.31945427 |
| 4 | 4s | 4.849037 | .03033349 |
| 5 | 3s | 8.645900 | .02632231 |
| 6 | 5s | 18.328636 | .00086789 |
| 7 | 5s | 2.304439 | -.00552324 |
| 8 | 3s | 30.168256 | -.00007368 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960923 | < R2 > | 1.108619 | < 1/R > | 1.503347 | < 1/R**2 > | 9.296262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230641 | .87162447 |
| 2 | 1s | 12.227799 | .12119567 |
| 3 | 1s | 10.028013 | .00299885 |
| 4 | 2s | 6.011239 | .01817397 |
| 5 | 3s | 8.212708 | -.00759422 |
| 6 | 4s | 17.135077 | .00294691 |
| 7 | 5s | 51.568585 | -.00004130 |
| 8 | 5s | 4.211777 | .00045386 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632446 | < 1/R**2 > | 150.887183 |
Total Energy= -98.85203833 a.u.
Kinetic Energy= 98.85193985 a.u.
Potential Energy= -197.70397818 a.u.
Virial Ratio = -2.00000100