(1s 2 2s 2 2p 1 5d 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 2.576363 | 1.47499138 |
| 2 | 4d | 2.125922 | -4.48255775 |
| 3 | 5d | 1.993421 | 3.71013398 |
| 4 | 3d | 6.027998 | .03824967 |
| 5 | 5d | 8.528665 | -.00671293 |
| 6 | 5d | 1.412839 | -.02569288 |
| 7 | 4d | 37.889476 | .00003577 |
| 8 | 4d | 1.108912 | .01069100 |
| ORB.ENERGY,a.u. | -2.037800 | ||
| NORM | .999999 | < R > | 3.378032 | < R2 > | 12.956359 | < 1/R > | .412526 | < 1/R**2 > | .352765 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.161835 | 1.08359306 |
| 2 | 3p | 7.562740 | -.09867370 |
| 3 | 2p | 14.677284 | .01501192 |
| 4 | 5p | 17.969226 | .00216697 |
| 5 | 4p | 29.067192 | -.00047529 |
| 6 | 5p | 6.470150 | .00249271 |
| 7 | 5p | 83.229975 | -.00001071 |
| ORB.ENERGY,a.u. | -17.192000 | ||
| NORM | 1.000000 | < R > | .396853 | < R2 > | .190631 | < 1/R > | 3.185322 | < 1/R**2 > | 13.732599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.941900 | .37318057 |
| 2 | 2s | 5.669161 | -.80901412 |
| 3 | 3s | 8.182199 | -.28221300 |
| 4 | 4s | 28.231209 | .00125056 |
| 5 | 5s | 16.055082 | -.01112753 |
| 6 | 5s | 6.312928 | .01752796 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456525 | < R2 > | .243868 | < 1/R > | 3.212058 | < 1/R**2 > | 41.729754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165783 | .93087448 |
| 2 | 1s | 21.882841 | .06871167 |
| 3 | 2s | 13.042356 | .01921368 |
| 4 | 3s | 16.061187 | -.01653051 |
| 5 | 4s | 74.178728 | -.00006359 |
| 6 | 5s | 34.553541 | .00079516 |
| 7 | 5s | 8.980635 | .00006834 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102968 | < R2 > | .014203 | < 1/R > | 14.648375 | < 1/R**2 > | 432.015725 |
Total Energy= -278.14030832 a.u.
Kinetic Energy= 278.13311485 a.u.
Potential Energy= -556.27342317 a.u.
Virial Ratio = -2.00002586