(1s 2 2s 2 2p 3 4s 1 ) 3 S F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 8.556045 | .03300554 |
| 2 | 2s | .990483 | -.75784932 |
| 3 | 3s | 1.086111 | 1.78058163 |
| 4 | 4s | .664300 | -1.32842713 |
| 5 | 5s | 1.573808 | -.24898996 |
| 6 | 4s | 6.089511 | -.09777446 |
| 7 | 5s | 7.255035 | .04805382 |
| 8 | 4s | 16.493815 | -.00158680 |
| 9 | 5s | 46.353504 | -.00006976 |
| ORB.ENERGY,a.u. | -.202760 | ||
| NORM | .999999 | < R > | 7.459024 | < R2 > | 62.590207 | < 1/R > | .177344 | < 1/R**2 > | .189872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.518533 | .74643402 |
| 2 | 2p | 4.234345 | .26069744 |
| 3 | 2p | 8.734202 | .01869262 |
| 4 | 3p | 2.520643 | -.00140452 |
| 5 | 4p | 2.298521 | .02076865 |
| 6 | 5p | 11.082983 | .00336816 |
| ORB.ENERGY,a.u. | -2.084600 | ||
| NORM | 1.000000 | < R > | .879101 | < R2 > | .961548 | < 1/R > | 1.485658 | < 1/R**2 > | 3.104394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.565879 | .31087694 |
| 2 | 2s | 3.306276 | -.84315658 |
| 3 | 3s | 2.743888 | -.27421893 |
| 4 | 4s | 11.233820 | .01692897 |
| 5 | 3s | 13.796105 | .00751928 |
| 6 | 5s | .733375 | -.00979539 |
| 7 | 4s | 1.590973 | .00611232 |
| 8 | 3s | 40.285157 | .00012283 |
| 9 | 2s | 56.319845 | .00002978 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .919383 | < R2 > | 1.009149 | < 1/R > | 1.567853 | < 1/R**2 > | 10.054398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.102291 | .85293611 |
| 2 | 1s | 11.753790 | .15381825 |
| 3 | 2s | 8.059414 | -.00566388 |
| 4 | 3s | 5.441381 | .00355818 |
| 5 | 4s | 17.254850 | .00395209 |
| 6 | 5s | 76.527313 | -.00000483 |
| 7 | 3s | .690320 | -.00043346 |
| 8 | 3s | 11.416115 | -.00002935 |
| 9 | 4s | .617695 | .00074011 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175520 | < R2 > | .041485 | < 1/R > | 8.636749 | < 1/R**2 > | 150.999087 |
Total Energy= -97.81548673 a.u.
Kinetic Energy= 97.81163587 a.u.
Potential Energy= -195.62712260 a.u.
Virial Ratio = -2.00003937