(1s 2 2s 2 2p 1 5d 1 ) 1 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.017395 | 1.44039226 |
| 2 | 4d | .895939 | -4.02252976 |
| 3 | 5d | .810207 | 3.10636277 |
| 4 | 3d | 2.991670 | .06007260 |
| 5 | 4d | .741115 | .07637952 |
| 6 | 5d | 2.592415 | .04152303 |
| 7 | 4d | 4.183655 | -.00485571 |
| 8 | 5d | 12.437284 | -.00016725 |
| ORB.ENERGY,a.u. | -.334070 | ||
| NORM | .999997 | < R > | 8.222371 | < R2 > | 76.849161 | < 1/R > | .171299 | < 1/R**2 > | .063291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.125397 | .87255731 |
| 2 | 2p | 5.095252 | .12366977 |
| 3 | 2p | 10.434623 | .00779170 |
| 4 | 3p | 2.248367 | -.00682312 |
| 5 | 4p | 3.014434 | .02984590 |
| 6 | 4p | 15.803315 | -.00069833 |
| ORB.ENERGY,a.u. | -4.015500 | ||
| NORM | 1.000000 | < R > | .766912 | < R2 > | .717781 | < 1/R > | 1.665722 | < 1/R**2 > | 3.807769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.081225 | .30802374 |
| 2 | 2s | 2.898548 | -.78579921 |
| 3 | 3s | 4.668339 | -.27025852 |
| 4 | 4s | 16.612560 | .00226870 |
| 5 | 5s | 9.216621 | -.01787703 |
| 6 | 5s | 3.311604 | .03067798 |
| 7 | 4s | 35.936247 | .00003380 |
| 8 | 4s | 2.979054 | -.00715805 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843628 | < R2 > | .836713 | < 1/R > | 1.711017 | < 1/R**2 > | 11.861978 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.334993 | .00123590 |
| 2 | 1s | 8.053184 | .85110908 |
| 3 | 1s | 12.612509 | .14432979 |
| 4 | 2s | 11.021216 | .02092186 |
| 5 | 3s | 9.804589 | -.01582327 |
| 6 | 4s | 15.751936 | .00477753 |
| 7 | 5s | 28.685014 | .00028282 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174824 | < R2 > | .041062 | < 1/R > | 8.657666 | < 1/R**2 > | 151.555865 |
Total Energy= -92.45697559 a.u.
Kinetic Energy= 92.46084424 a.u.
Potential Energy= -184.91781983 a.u.
Virial Ratio = -1.99995816