(1s 2 2s 2 2p 1 5d 1 ) 3 P S 10+
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 | 2.179942 | 3.66808494 |
| 2 | 4d | 2.202251 | -9.26417336 |
| 3 | 5d | 2.226996 | 6.25266322 |
| 4 | 3d | 7.445433 | .02572555 |
| 5 | 5d | 3.925453 | -.07867036 |
| 6 | 5d | 2.574565 | .09751812 |
| 7 | 5d | 39.944873 | .00005138 |
| 8 | 4d | 26.018688 | -.00014908 |
| 9 | 3d | 26.631408 | .00002204 |
| 10 | 4d | .991020 | .00024753 |
| ORB.ENERGY,a.u. | -2.463400 | ||
| NORM | .999997 | < R > | 3.074597 | < R2 > | 10.732020 | < 1/R > | .452836 | < 1/R**2 > | .423880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.664139 | 1.08484613 |
| 2 | 3p | 8.458477 | -.10717878 |
| 3 | 5p | 5.426623 | .00047621 |
| 4 | 2p | 15.472491 | .01383308 |
| 5 | 5p | 14.180052 | .00851714 |
| 6 | 4p | 10.782545 | .00003956 |
| 7 | 5p | 21.608691 | .00354469 |
| ORB.ENERGY,a.u. | -20.269000 | ||
| NORM | 1.000000 | < R > | .367501 | < R2 > | .163370 | < 1/R > | 3.436873 | < 1/R**2 > | 15.969586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.758746 | .37937000 |
| 2 | 2s | 6.116496 | -.81209172 |
| 3 | 3s | 8.802740 | -.28433888 |
| 4 | 4s | 29.976377 | .00119392 |
| 5 | 5s | 17.242068 | -.01009068 |
| 6 | 5s | 6.827448 | .01832913 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424167 | < R2 > | .210459 | < 1/R > | 3.462191 | < 1/R**2 > | 48.460828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.173502 | .93491660 |
| 2 | 1s | 23.838462 | .06237354 |
| 3 | 2s | 14.452642 | .02458605 |
| 4 | 3s | 23.300666 | -.00853785 |
| 5 | 4s | 19.268082 | -.01194398 |
| 6 | 5s | 41.326322 | .00070045 |
| 7 | 5s | 8.330475 | .00004204 |
| 8 | 3s | 70.982724 | -.00003583 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012435 | < 1/R > | 15.647493 | < 1/R**2 > | 492.757412 |
Total Energy= -318.85494804 a.u.
Kinetic Energy= 318.84701833 a.u.
Potential Energy= -637.70196636 a.u.
Virial Ratio = -2.00002487