(1s 2 2s 2 2p 2 3d 1 ) 2 P F 2+
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 | 1.073018 | .94636007 |
| 2 | 4d | 2.608997 | .03049971 |
| 3 | 5d | 1.048799 | .06071456 |
| 4 | 4d | .896419 | -.02695321 |
| 5 | 5d | 10.242892 | -.00023393 |
| 6 | 3d | 3.593349 | .02591071 |
| ORB.ENERGY,a.u. | -.525170 | ||
| NORM | 1.000000 | < R > | 3.243499 | < R2 > | 12.167610 | < 1/R > | .366684 | < 1/R**2 > | .166656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.796677 | .79916755 |
| 2 | 2p | 4.628057 | .20581848 |
| 3 | 2p | 9.444330 | .01163753 |
| 4 | 3p | 1.809031 | .02931981 |
| 5 | 4p | 1.606299 | -.01423645 |
| 6 | 5p | 19.467646 | -.00037257 |
| 7 | 5p | 1.572327 | .00476623 |
| 8 | 3p | 12.685625 | -.00068791 |
| ORB.ENERGY,a.u. | -2.765800 | ||
| NORM | 1.000000 | < R > | .820352 | < R2 > | .829253 | < 1/R > | 1.573959 | < 1/R**2 > | 3.440008 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.432619 | .33329412 |
| 2 | 2s | 3.412437 | -.85182249 |
| 3 | 3s | 3.080617 | -.25881193 |
| 4 | 4s | 10.576350 | .01424868 |
| 5 | 3s | 11.771831 | .01003390 |
| 6 | 5s | 2.994922 | -.01193564 |
| 7 | 5s | 32.979935 | -.00007272 |
| 8 | 3s | 25.508915 | -.00021304 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .882145 | < R2 > | .920558 | < 1/R > | 1.634682 | < 1/R**2 > | 10.883874 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278400 | .68788663 |
| 2 | 1s | 12.188014 | .22285510 |
| 3 | 1s | 2.710102 | .00564849 |
| 4 | 2s | 9.052431 | .12781799 |
| 5 | 3s | 10.113806 | -.02750454 |
| 6 | 4s | 17.025667 | .00329512 |
| 7 | 5s | 52.792769 | -.00003482 |
| 8 | 5s | 4.837653 | -.00124441 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175219 | < R2 > | .041293 | < 1/R > | 8.645645 | < 1/R**2 > | 151.234947 |
Total Energy= -95.83981238 a.u.
Kinetic Energy= 95.84480404 a.u.
Potential Energy= -191.68461642 a.u.
Virial Ratio = -1.99994792