(1s 2 2s 2 2p 2 3d 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 3.467212 | 1.08988381 |
| 2 | 3d | 7.883870 | .02849058 |
| 3 | 4d | 4.077743 | -.10795531 |
| 4 | 5d | 23.894556 | -.00015622 |
| 5 | 4d | 58.467414 | .00000343 |
| ORB.ENERGY,a.u. | -5.802900 | ||
| NORM | 1.000000 | < R > | .985492 | < R2 > | 1.119026 | < 1/R > | 1.197578 | < 1/R**2 > | 1.749632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.222439 | 1.17334597 |
| 2 | 3p | 7.219391 | -.19728173 |
| 3 | 2p | 15.826688 | .01859331 |
| 4 | 4p | 19.166408 | .00665671 |
| 5 | 5p | 3.878001 | .00024861 |
| 6 | 5p | 27.465624 | -.00156199 |
| 7 | 4p | 74.715332 | .00002911 |
| ORB.ENERGY,a.u. | -17.331000 | ||
| NORM | 1.000000 | < R > | .379812 | < R2 > | .175276 | < 1/R > | 3.341692 | < 1/R**2 > | 15.178033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.625092 | .42060376 |
| 2 | 2s | 6.965697 | -.86176509 |
| 3 | 3s | 7.040470 | -.28426413 |
| 4 | 4s | 26.447610 | .00207581 |
| 5 | 3s | 15.265989 | .01567954 |
| 6 | 5s | 6.885242 | -.02257616 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434767 | < R2 > | .221715 | < 1/R > | 3.373512 | < 1/R**2 > | 46.206941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112674 | .92672027 |
| 2 | 1s | 23.113396 | .07200569 |
| 3 | 2s | 14.136731 | .01947335 |
| 4 | 3s | 17.755877 | -.01558615 |
| 5 | 5s | 37.756755 | .00090072 |
| 6 | 4s | 89.133429 | -.00003594 |
| 7 | 5s | 11.707273 | .00038177 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096555 | < R2 > | .012496 | < 1/R > | 15.627167 | < 1/R**2 > | 491.762176 |
Total Energy= -340.71038775 a.u.
Kinetic Energy= 340.73158357 a.u.
Potential Energy= -681.44197133 a.u.
Virial Ratio = -1.99993779