(1s 2 2s 2 5s 1 ) 2 S F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 7.416280 | .06866497 |
| 2 | 2s | 2.220932 | -.51828890 |
| 3 | 3s | 1.349526 | 3.12173388 |
| 4 | 4s | 1.210435 | -5.63016377 |
| 5 | 5s | 1.067729 | 3.54428751 |
| 6 | 5s | 9.857846 | -.00675166 |
| 7 | 4s | 5.234261 | -.03204967 |
| ORB.ENERGY,a.u. | -.575570 | ||
| NORM | 1.000003 | < R > | 6.534139 | < R2 > | 47.767928 | < 1/R > | .219787 | < 1/R**2 > | .467163 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.815352 | .33896164 |
| 2 | 2s | 3.305667 | -.76751012 |
| 3 | 3s | 4.600740 | -.29770805 |
| 4 | 4s | 12.333214 | .01038440 |
| 5 | 5s | 4.112918 | -.02798814 |
| 6 | 3s | 13.024253 | .00475725 |
| 7 | 4s | 2.767493 | .00894361 |
| 8 | 5s | 2.610254 | -.00224493 |
| 9 | 5s | 53.083874 | -.00002629 |
| ORB.ENERGY,a.u. | -5.448000 | ||
| NORM | 1.000000 | < R > | .808882 | < R2 > | .765845 | < 1/R > | 1.788767 | < 1/R**2 > | 12.898537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.044392 | .85042617 |
| 2 | 1s | 12.510957 | .14826363 |
| 3 | 2s | 10.707054 | .02064163 |
| 4 | 3s | 10.285882 | -.01519555 |
| 5 | 4s | 17.357780 | .00405816 |
| 6 | 5s | 10.331752 | -.00363606 |
| ORB.ENERGY,a.u. | -31.685000 |
| NORM | 1.000000 | < R > | .174315 | < R2 > | .040769 | < 1/R > | 8.673512 | < 1/R**2 > | 151.981795 |
Total Energy= -88.50936037 a.u.
Kinetic Energy= 88.50936430 a.u.
Potential Energy= -177.01872467 a.u.
Virial Ratio = -1.99999996