(1s 2 2s 2 2p 2 4d 1 ) 4 F S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 3.107034 | 1.08947520 |
| 2 | 4d | 2.485934 | -1.64095269 |
| 3 | 3d | 6.464576 | .06353081 |
| 4 | 4d | 7.732579 | -.01373569 |
| 5 | 5d | 2.197976 | .03869308 |
| 6 | 5d | 24.044781 | -.00037395 |
| 7 | 4d | 39.585000 | -.00003139 |
| 8 | 4d | 1.475917 | -.00266014 |
| ORB.ENERGY,a.u. | -3.255900 | ||
| NORM | 1.000001 | < R > | 2.002108 | < R2 > | 4.592334 | < 1/R > | .664777 | < 1/R**2 > | .735204 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.346453 | 1.13905511 |
| 2 | 3p | 7.645719 | -.15798682 |
| 3 | 2p | 15.599822 | .01713674 |
| 4 | 4p | 16.607898 | .00416619 |
| 5 | 5p | 34.544024 | -.00022954 |
| 6 | 5p | 2.909906 | -.00042209 |
| 7 | 4p | 92.713684 | .00000443 |
| ORB.ENERGY,a.u. | -17.910000 | ||
| NORM | 1.000000 | < R > | .378853 | < R2 > | .174206 | < 1/R > | 3.347377 | < 1/R**2 > | 15.220203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.626600 | .42152771 |
| 2 | 2s | 6.968516 | -.86236236 |
| 3 | 3s | 7.092485 | -.28399560 |
| 4 | 4s | 26.750585 | .00208250 |
| 5 | 3s | 15.048503 | .01644141 |
| 6 | 5s | 7.142919 | -.02199364 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433609 | < R2 > | .220369 | < 1/R > | 3.381834 | < 1/R**2 > | 46.412511 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672276 |
| 2 | 1s | 23.113970 | .07200499 |
| 3 | 2s | 14.134534 | .01947428 |
| 4 | 3s | 17.755474 | -.01558651 |
| 5 | 5s | 37.737351 | .00090085 |
| 6 | 4s | 89.201134 | -.00003600 |
| 7 | 5s | 11.787073 | .00037396 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096556 | < R2 > | .012497 | < 1/R > | 15.627013 | < 1/R**2 > | 491.753929 |
Total Energy= -338.15356084 a.u.
Kinetic Energy= 338.18428383 a.u.
Potential Energy= -676.33784467 a.u.
Virial Ratio = -1.99990915