(1s 2 2s 2 2p 4 5d 1 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 2.093749 | 1.41338659 |
| 2 | 4d | 1.617530 | -5.41073567 |
| 3 | 5d | 1.604937 | 4.76960386 |
| 4 | 3d | 5.486256 | .04237651 |
| 5 | 5d | 8.085617 | -.01127548 |
| 6 | 4d | 17.189473 | .00036984 |
| 7 | 5d | 1.285318 | -.02072775 |
| 8 | 3d | 23.646513 | .00008011 |
| ORB.ENERGY,a.u. | -1.303200 | ||
| NORM | .999998 | < R > | 4.218873 | < R2 > | 20.237319 | < 1/R > | .333053 | < 1/R**2 > | .234777 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.569403 | 1.15122312 |
| 2 | 3p | 6.364173 | -.22825539 |
| 3 | 2p | 12.077488 | .07448248 |
| 4 | 4p | 14.173641 | .01287342 |
| 5 | 5p | 39.823639 | -.00013154 |
| 6 | 5p | 6.035820 | -.00273457 |
| ORB.ENERGY,a.u. | -13.490000 | ||
| NORM | 1.000000 | < R > | .404716 | < R2 > | .200597 | < 1/R > | 3.166254 | < 1/R**2 > | 13.777954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.766130 | .39637885 |
| 2 | 2s | 6.772505 | -.85171153 |
| 3 | 3s | 6.212130 | -.29976472 |
| 4 | 4s | 17.570347 | .00744086 |
| 5 | 3s | 19.699344 | .00708315 |
| 6 | 5s | 34.644413 | .00060237 |
| 7 | 5s | 4.985902 | -.00295698 |
| 8 | 4s | 3.890353 | .00153198 |
| 9 | 2s | 87.282831 | .00000622 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452508 | < R2 > | .241044 | < 1/R > | 3.233011 | < 1/R**2 > | 42.712778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164776 | .91812200 |
| 2 | 1s | 22.011406 | .07851642 |
| 3 | 2s | 9.674017 | .01987295 |
| 4 | 3s | 11.854039 | -.01990099 |
| 5 | 4s | 14.425405 | .00893422 |
| 6 | 5s | 38.912537 | .00083004 |
| 7 | 4s | 94.604847 | -.00002788 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593547 | < 1/R**2 > | 490.122591 |
Total Energy= -366.58561757 a.u.
Kinetic Energy= 366.56498601 a.u.
Potential Energy= -733.15060358 a.u.
Virial Ratio = -2.00005628