(1s 2 2s 2 2p 1 4d 1 ) 1 D S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 3.274455 | 1.21925365 |
| 2 | 4d | 2.756247 | -1.74753059 |
| 3 | 3d | 6.514008 | .05023375 |
| 4 | 5d | 9.252631 | -.00649046 |
| 5 | 4d | 36.242394 | .00005341 |
| 6 | 5d | 2.384395 | .01010340 |
| 7 | 3d | 61.424958 | .00000295 |
| ORB.ENERGY,a.u. | -3.908600 | ||
| NORM | 1.000001 | < R > | 1.838916 | < R2 > | 3.870812 | < 1/R > | .720450 | < 1/R**2 > | .853152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.658244 | 1.08103884 |
| 2 | 3p | 8.189455 | -.09571222 |
| 3 | 2p | 16.110158 | .01290298 |
| 4 | 5p | 19.497665 | .00225734 |
| 5 | 4p | 32.980079 | -.00023467 |
| 6 | 5p | 4.067708 | -.00086076 |
| 7 | 4p | 5.851391 | .00417229 |
| 8 | 5p | 104.227696 | -.00000202 |
| 9 | 4p | 1.985380 | -.00002594 |
| ORB.ENERGY,a.u. | -20.054000 | ||
| NORM | 1.000000 | < R > | .368115 | < R2 > | .163944 | < 1/R > | 3.431954 | < 1/R**2 > | 15.928355 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.760082 | .37899722 |
| 2 | 2s | 6.114137 | -.81150560 |
| 3 | 3s | 8.816133 | -.28402789 |
| 4 | 4s | 29.739968 | .00128112 |
| 5 | 5s | 17.234790 | -.00969711 |
| 6 | 5s | 6.737211 | .01676019 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424504 | < R2 > | .210819 | < 1/R > | 3.459330 | < 1/R**2 > | 48.385910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.175845 | .93701083 |
| 2 | 1s | 24.033622 | .06045775 |
| 3 | 2s | 14.599408 | .02466560 |
| 4 | 3s | 23.195363 | -.00894242 |
| 5 | 4s | 19.388856 | -.01182527 |
| 6 | 5s | 40.715294 | .00067494 |
| 7 | 5s | 9.342171 | .00006234 |
| 8 | 3s | 65.764936 | -.00004747 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096360 | < R2 > | .012435 | < 1/R > | 15.647535 | < 1/R**2 > | 492.759870 |
Total Energy= -320.26305585 a.u.
Kinetic Energy= 320.29194470 a.u.
Potential Energy= -640.55500054 a.u.
Virial Ratio = -1.99990980