(1s 2 2s 2 2p 2 4s 1 ) 2 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 8.158527 | .05208420 |
| 2 | 2s | 1.359746 | -.85790914 |
| 3 | 3s | 1.321886 | 2.08416191 |
| 4 | 4s | .908161 | -1.56829394 |
| 5 | 5s | 1.897292 | -.24344404 |
| 6 | 4s | 6.183134 | -.03415447 |
| 7 | 5s | 11.299755 | -.00723256 |
| 8 | 4s | 16.149825 | -.00192548 |
| 9 | 5s | 48.169364 | -.00004828 |
| ORB.ENERGY,a.u. | -.397930 | ||
| NORM | 1.000000 | < R > | 5.698657 | < R2 > | 36.455925 | < 1/R > | .237142 | < 1/R**2 > | .384012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.780882 | .81511624 |
| 2 | 2p | 4.675158 | .20078352 |
| 3 | 2p | 9.501074 | .01121073 |
| 4 | 3p | 2.251047 | .01685915 |
| 5 | 4p | 3.347364 | -.01058628 |
| 6 | 5p | 19.407806 | -.00074916 |
| 7 | 4p | 28.132497 | -.00012739 |
| 8 | 5p | .840014 | .00015156 |
| ORB.ENERGY,a.u. | -2.940700 | ||
| NORM | 1.000000 | < R > | .818690 | < R2 > | .824843 | < 1/R > | 1.575635 | < 1/R**2 > | 3.445125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.414184 | .33555475 |
| 2 | 2s | 3.421096 | -.85945786 |
| 3 | 3s | 3.026194 | -.26421034 |
| 4 | 5s | 18.905630 | .00088541 |
| 5 | 4s | 10.475785 | .01753591 |
| 6 | 3s | 12.488728 | .00782801 |
| 7 | 5s | 1.021458 | -.01089655 |
| 8 | 4s | 1.499685 | .00573212 |
| 9 | 3s | 27.434755 | -.00010820 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .879014 | < R2 > | .914606 | < 1/R > | 1.639899 | < 1/R**2 > | 10.945968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.290289 | .68659077 |
| 2 | 1s | 12.186819 | .22239448 |
| 3 | 2s | 9.101960 | .12699181 |
| 4 | 3s | 10.530384 | -.02755654 |
| 5 | 4s | 17.205891 | .00643660 |
| 6 | 1s | 3.690403 | .00563887 |
| 7 | 5s | 22.682257 | -.00089107 |
| 8 | 5s | .895975 | .00050395 |
| 9 | 5s | 2.578576 | -.00029515 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175238 | < R2 > | .041313 | < 1/R > | 8.645093 | < 1/R**2 > | 151.219594 |
Total Energy= -95.72281229 a.u.
Kinetic Energy= 95.71733484 a.u.
Potential Energy= -191.44014713 a.u.
Virial Ratio = -2.00005723