(1s 2 2s 2 4s 1 ) 2 S F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 7.619469 | .09474872 |
| 2 | 2s | 1.816078 | -1.08210361 |
| 3 | 3s | 1.626912 | 2.68318025 |
| 4 | 4s | 1.373375 | -2.31554805 |
| 5 | 5s | 3.201056 | .09506867 |
| 6 | 4s | 6.484644 | -.06089336 |
| 7 | 5s | 7.603672 | .01435576 |
| 8 | 4s | 29.271742 | -.00008808 |
| ORB.ENERGY,a.u. | -.935030 | ||
| NORM | 1.000001 | < R > | 4.033752 | < R2 > | 18.263928 | < 1/R > | .352226 | < 1/R**2 > | .963189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.819208 | .33854973 |
| 2 | 2s | 3.305005 | -.76444089 |
| 3 | 3s | 4.629618 | -.29633249 |
| 4 | 4s | 12.197982 | .00967255 |
| 5 | 5s | 4.312560 | -.02659853 |
| 6 | 3s | 12.426025 | .00573652 |
| 7 | 5s | 1.645752 | .00052803 |
| 8 | 4s | 39.717091 | -.00004483 |
| ORB.ENERGY,a.u. | -5.333400 | ||
| NORM | 1.000000 | < R > | .809345 | < R2 > | .766840 | < 1/R > | 1.787867 | < 1/R**2 > | 12.887268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.044240 | .85040456 |
| 2 | 1s | 12.513155 | .14822982 |
| 3 | 2s | 10.716785 | .02065515 |
| 4 | 3s | 10.270567 | -.01521647 |
| 5 | 4s | 17.349951 | .00407285 |
| 6 | 5s | 10.320148 | -.00355120 |
| ORB.ENERGY,a.u. | -31.553000 |
| NORM | 1.000000 | < R > | .174323 | < R2 > | .040773 | < 1/R > | 8.673244 | < 1/R**2 > | 151.973955 |
Total Energy= -88.86855180 a.u.
Kinetic Energy= 88.86855303 a.u.
Potential Energy= -177.73710482 a.u.
Virial Ratio = -1.99999999