(1s 2 2s 2 2p 2 5d 1 ) 4 D F 2+
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 | .766088 | 1.56409058 |
| 2 | 4d | .696902 | -3.49092672 |
| 3 | 5d | .584169 | 2.65628392 |
| 4 | 3d | 2.976057 | .03602866 |
| 5 | 4d | .373891 | -.16147846 |
| 6 | 5d | 2.523209 | .02381637 |
| 7 | 5d | .363650 | .04939924 |
| 8 | 4d | 21.191933 | .00001358 |
| ORB.ENERGY,a.u. | -.185940 | ||
| NORM | 1.000001 | < R > | 11.050257 | < R2 > | 139.115915 | < 1/R > | .129242 | < 1/R**2 > | .037270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.844252 | .81675842 |
| 2 | 2p | 4.803502 | .18320385 |
| 3 | 2p | 10.489382 | .00774718 |
| 4 | 3p | 1.828300 | .04970515 |
| 5 | 4p | 1.734282 | -.03247483 |
| 6 | 5p | 20.647654 | -.00022951 |
| 7 | 5p | 1.749202 | .00936878 |
| ORB.ENERGY,a.u. | -3.044700 | ||
| NORM | 1.000000 | < R > | .818261 | < R2 > | .824146 | < 1/R > | 1.576675 | < 1/R**2 > | 3.449714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.458345 | .33196539 |
| 2 | 2s | 3.417401 | -.85006602 |
| 3 | 3s | 3.107969 | -.25826345 |
| 4 | 4s | 10.406343 | .01509384 |
| 5 | 3s | 11.802892 | .01165277 |
| 6 | 5s | 3.227803 | -.01405512 |
| 7 | 5s | 34.287722 | -.00011993 |
| 8 | 2s | 44.116196 | .00002577 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880679 | < R2 > | .916812 | < 1/R > | 1.636798 | < 1/R**2 > | 10.908383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.279014 | .68784678 |
| 2 | 1s | 12.188108 | .22283236 |
| 3 | 1s | 2.694656 | .00560497 |
| 4 | 2s | 9.056142 | .12779943 |
| 5 | 3s | 10.144078 | -.02748300 |
| 6 | 4s | 16.991167 | .00344916 |
| 7 | 5s | 4.831162 | -.00125500 |
| 8 | 5s | 54.602543 | -.00002833 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175223 | < R2 > | .041295 | < 1/R > | 8.645514 | < 1/R**2 > | 151.231319 |
Total Energy= -95.50526109 a.u.
Kinetic Energy= 95.50554848 a.u.
Potential Energy= -191.01080958 a.u.
Virial Ratio = -1.99999699