(1s 2 2s 2 2p 2 4d 1 ) 2 D S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 2.808297 | 1.43498363 |
| 2 | 4d | 2.475568 | -1.93947810 |
| 3 | 3d | 7.007222 | .01664091 |
| 4 | 5d | 15.540283 | .00343635 |
| 5 | 5d | 27.916137 | .00025902 |
| 6 | 5d | 2.208804 | .01275586 |
| 7 | 3d | 17.154183 | .00079942 |
| ORB.ENERGY,a.u. | -3.151600 | ||
| NORM | 1.000001 | < R > | 2.071693 | < R2 > | 4.920014 | < 1/R > | .641029 | < 1/R**2 > | .674205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.306054 | 1.12658448 |
| 2 | 3p | 7.371267 | -.15300204 |
| 3 | 2p | 14.794782 | .02363558 |
| 4 | 4p | 16.155499 | .00557345 |
| 5 | 5p | 35.465832 | -.00024250 |
| 6 | 5p | 3.423478 | .00038175 |
| ORB.ENERGY,a.u. | -17.806000 | ||
| NORM | 1.000000 | < R > | .378176 | < R2 > | .173598 | < 1/R > | 3.352935 | < 1/R**2 > | 15.266569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.626574 | .42156286 |
| 2 | 2s | 6.968736 | -.86239219 |
| 3 | 3s | 7.095536 | -.28398236 |
| 4 | 4s | 26.747630 | .00207161 |
| 5 | 3s | 15.040513 | .01654044 |
| 6 | 5s | 7.135602 | -.02209128 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433587 | < R2 > | .220348 | < 1/R > | 3.382066 | < 1/R**2 > | 46.419336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92671879 |
| 2 | 1s | 23.111995 | .07201083 |
| 3 | 2s | 14.124207 | .01947925 |
| 4 | 3s | 17.753540 | -.01558734 |
| 5 | 5s | 37.693275 | .00090215 |
| 6 | 4s | 89.338247 | -.00003665 |
| 7 | 5s | 11.773451 | .00036852 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096558 | < R2 > | .012497 | < 1/R > | 15.626856 | < 1/R**2 > | 491.745975 |
Total Energy= -338.15145649 a.u.
Kinetic Energy= 338.07998220 a.u.
Potential Energy= -676.23143868 a.u.
Virial Ratio = -2.00021141