(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 F S +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | .967546 | .27505611 |
| 2 | 4d | .528208 | -1.68747012 |
| 3 | 5d | .446052 | 1.97569287 |
| 4 | 3d | 1.983083 | .17437365 |
| 5 | 4d | 2.448950 | -.06010658 |
| 6 | 5d | 7.378198 | .00068029 |
| 7 | 3d | 6.728612 | .00413008 |
| ORB.ENERGY,a.u. | -.251940 | ||
| NORM | 1.000008 | < R > | 14.030056 | < R2 > | 222.961571 | < 1/R > | .101220 | < 1/R**2 > | .026722 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.523879 | .32441907 |
| 2 | 2p | 1.450344 | -.76516458 |
| 3 | 3p | 2.184083 | -.35200293 |
| 4 | 2p | 8.893638 | .08963319 |
| 5 | 4p | 1.392162 | .02662168 |
| 6 | 3p | 13.619849 | -.00392448 |
| 7 | 4p | 33.711636 | -.00012850 |
| ORB.ENERGY,a.u. | -.994800 | ||
| NORM | 1.001949 | < R > | 1.776188 | < R2 > | 3.645173 | < 1/R > | .749709 | < 1/R**2 > | 1.236181 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.450442 | -.12460152 |
| 2 | 1s | 11.238643 | .20817877 |
| 3 | 1s | 36.641500 | .00042211 |
| 4 | 2s | 5.229765 | -.38068321 |
| 5 | 3s | 2.222943 | .88612205 |
| 6 | 4s | 3.843337 | .17900986 |
| 7 | 5s | 2.041258 | .03921838 |
| 8 | 3s | 31.610841 | -.00040978 |
| ORB.ENERGY,a.u. | -1.548400 | ||
| NORM | 1.000000 | < R > | 1.599392 | < R2 > | 2.930748 | < 1/R > | .844182 | < 1/R**2 > | 4.105793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.080317 | .43001881 |
| 2 | 3p | 7.049666 | .50731840 |
| 3 | 4p | 5.663965 | .16631241 |
| 4 | 5p | 4.169753 | .00815951 |
| 5 | 2p | 26.894729 | .00119098 |
| 6 | 3p | 27.541026 | .00066068 |
| 7 | 4p | 1.933493 | .00039066 |
| 8 | 5p | 47.331180 | -.00002649 |
| ORB.ENERGY,a.u. | -7.085200 | ||
| NORM | 1.000000 | < R > | .440580 | < R2 > | .241485 | < 1/R > | 2.956730 | < 1/R**2 > | 12.218948 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.999789 | .36724423 |
| 2 | 2s | 6.340943 | -.76537186 |
| 3 | 3s | 5.384909 | -.16479601 |
| 4 | 4s | 25.529518 | .00217411 |
| 5 | 2s | 5.214946 | -.19276853 |
| 6 | 3s | 16.736317 | .00651498 |
| 7 | 4s | 3.700239 | -.00344578 |
| 8 | 5s | 54.378441 | .00003441 |
| ORB.ENERGY,a.u. | -9.396800 | ||
| NORM | 1.000000 | < R > | .475048 | < R2 > | .267595 | < 1/R > | 3.077573 | < 1/R**2 > | 39.000712 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554497 | 1.01449619 |
| 2 | 2s | 21.754667 | -.02193027 |
| 3 | 3s | 10.719658 | .02053504 |
| 4 | 4s | 64.129211 | -.00032727 |
| 5 | 4s | 11.369083 | .00171448 |
| 6 | 5s | 84.425539 | .00010259 |
| 7 | 5s | 13.173075 | -.00938971 |
| 8 | 2s | 193.881035 | .00000082 |
| 9 | 3s | 1.919468 | -.00011791 |
| 10 | 2s | 1.504411 | .00012044 |
| 11 | 3s | 162.625863 | -.00000062 |
| ORB.ENERGY,a.u. | -91.855000 |
| NORM | 1.000000 | < R > | .097143 | < R2 > | .012684 | < 1/R > | 15.567282 | < 1/R**2 > | 488.846621 |
Total Energy= -396.43141390 a.u.
Kinetic Energy= 396.43107807 a.u.
Potential Energy= -792.86249197 a.u.
Virial Ratio = -2.00000085