(1s 2 2s 2 2p 2 3d 1 ) 2 F F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 1.013077 | .97537866 |
| 2 | 3d | 3.205359 | .02331849 |
| 3 | 4d | 1.969346 | .02055411 |
| 4 | 4d | 18.930799 | .00003336 |
| 5 | 5d | 4.780538 | -.00277530 |
| ORB.ENERGY,a.u. | -.508470 | ||
| NORM | 1.000000 | < R > | 3.402308 | < R2 > | 13.299099 | < 1/R > | .346133 | < 1/R**2 > | .146354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.816197 | .81413243 |
| 2 | 2p | 4.734339 | .19441085 |
| 3 | 2p | 10.316719 | .00840097 |
| 4 | 3p | 1.814167 | .02697137 |
| 5 | 4p | 1.583374 | -.01555387 |
| 6 | 5p | 21.459879 | -.00022779 |
| 7 | 5p | 1.562995 | .00500733 |
| ORB.ENERGY,a.u. | -2.749100 | ||
| NORM | 1.000000 | < R > | .817210 | < R2 > | .821628 | < 1/R > | 1.578083 | < 1/R**2 > | 3.454809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.457494 | .33168609 |
| 2 | 2s | 3.410651 | -.85031994 |
| 3 | 3s | 3.093781 | -.25863932 |
| 4 | 4s | 10.573907 | .01454228 |
| 5 | 3s | 11.803709 | .01084891 |
| 6 | 5s | 3.026395 | -.01281066 |
| 7 | 5s | 36.880077 | -.00009611 |
| 8 | 2s | 50.657240 | .00001407 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881875 | < R2 > | .919840 | < 1/R > | 1.635023 | < 1/R**2 > | 10.887660 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278247 | .68788681 |
| 2 | 1s | 12.188230 | .22285909 |
| 3 | 1s | 2.690404 | .00561607 |
| 4 | 2s | 9.053177 | .12781952 |
| 5 | 3s | 10.121877 | -.02746003 |
| 6 | 4s | 17.032938 | .00330772 |
| 7 | 5s | 4.813854 | -.00125889 |
| 8 | 5s | 52.819102 | -.00003421 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175224 | < R2 > | .041296 | < 1/R > | 8.645479 | < 1/R**2 > | 151.230423 |
Total Energy= -95.83858025 a.u.
Kinetic Energy= 95.82809585 a.u.
Potential Energy= -191.66667610 a.u.
Virial Ratio = -2.00010941