(1s 2 2s 2 2p 1 4d 1 ) 1 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 2.807874 | 1.43652776 |
| 2 | 4d | 2.477184 | -1.93348059 |
| 3 | 3d | 7.329623 | .02299275 |
| 4 | 5d | 1.930866 | .00677948 |
| 5 | 4d | 9.296928 | -.00647505 |
| 6 | 5d | 15.399489 | -.00069881 |
| 7 | 3d | 1.146559 | -.00144944 |
| 8 | 5d | 14.236433 | .00253897 |
| ORB.ENERGY,a.u. | -3.150400 | ||
| NORM | 1.000001 | < R > | 2.073807 | < R2 > | 4.927686 | < 1/R > | .639318 | < 1/R**2 > | .668446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.170973 | 1.08000335 |
| 2 | 3p | 7.492470 | -.09651536 |
| 3 | 2p | 15.010527 | .01441455 |
| 4 | 5p | 18.189240 | .00266176 |
| 5 | 4p | 32.311264 | -.00016241 |
| 6 | 5p | 6.357493 | .00467662 |
| 7 | 4p | 2.833907 | .00027215 |
| ORB.ENERGY,a.u. | -16.907000 | ||
| NORM | 1.000000 | < R > | .396519 | < R2 > | .190376 | < 1/R > | 3.188469 | < 1/R**2 > | 13.759366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.950110 | .37252550 |
| 2 | 2s | 5.659295 | -.80868032 |
| 3 | 3s | 8.198087 | -.28164567 |
| 4 | 4s | 28.240600 | .00123794 |
| 5 | 5s | 16.051899 | -.01117809 |
| 6 | 5s | 6.258267 | .01691995 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456888 | < R2 > | .244290 | < 1/R > | 3.209463 | < 1/R**2 > | 41.667388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165617 | .93106761 |
| 2 | 1s | 21.899364 | .06853985 |
| 3 | 2s | 13.075458 | .01917805 |
| 4 | 3s | 16.081889 | -.01652372 |
| 5 | 4s | 73.755292 | -.00006491 |
| 6 | 5s | 34.551708 | .00078462 |
| 7 | 4s | 8.054930 | .00008771 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102969 | < R2 > | .014203 | < 1/R > | 14.648304 | < 1/R**2 > | 432.012597 |
Total Energy= -279.30497986 a.u.
Kinetic Energy= 279.24556162 a.u.
Potential Energy= -558.55054148 a.u.
Virial Ratio = -2.00021278