(1s 2 2s 2 2p 3 5s 1 ) 3 S O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 8.139965 | .01077671 |
| 2 | 2s | 2.231606 | -.05379582 |
| 3 | 3s | .628387 | .42976495 |
| 4 | 4s | .369792 | -1.33817916 |
| 5 | 5s | .271209 | 1.56623916 |
| 6 | 5s | 1.419254 | .03632294 |
| 7 | 4s | 8.909990 | .00175808 |
| 8 | 2s | 11.348545 | .00104841 |
| 9 | 3s | 10.051418 | .00213948 |
| 10 | 3s | 5.446993 | -.00575637 |
| ORB.ENERGY,a.u. | -.033350 | ||
| NORM | .999999 | < R > | 22.555229 | < R2 > | 571.249705 | < 1/R > | .060040 | < 1/R**2 > | .022360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.024014 | .72213859 |
| 2 | 2p | 3.536246 | .28555862 |
| 3 | 2p | 7.594561 | .02033320 |
| 4 | 3p | 1.260686 | -.00471199 |
| 5 | 4p | 1.774193 | .03408507 |
| 6 | 5p | 9.665404 | .00387605 |
| ORB.ENERGY,a.u. | -1.190400 | ||
| NORM | 1.000000 | < R > | 1.078099 | < R2 > | 1.460839 | < 1/R > | 1.225454 | < 1/R**2 > | 2.139389 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.720199 | .29313474 |
| 2 | 2s | 2.890888 | -.79675348 |
| 3 | 3s | 2.241935 | -.34888338 |
| 4 | 4s | 9.779398 | .01273861 |
| 5 | 3s | 9.943895 | .00911785 |
| 6 | 5s | .440965 | -.00921002 |
| 7 | 4s | 2.256702 | .02927542 |
| 8 | 3s | .208411 | .01018652 |
| 9 | 5s | 21.177602 | .00041065 |
| 10 | 4s | 70.742074 | -.00000274 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089216 | < R2 > | 1.431263 | < 1/R > | 1.320205 | < 1/R**2 > | 7.130340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.127819 | .84505669 |
| 2 | 1s | 10.454865 | .16272976 |
| 3 | 2s | 7.250132 | -.00638003 |
| 4 | 3s | 4.533989 | .00312121 |
| 5 | 4s | 15.317893 | .00470835 |
| 6 | 5s | .164158 | -.00013882 |
| 7 | 5s | 37.072464 | .00003577 |
| 8 | 3s | 16.567332 | -.00011946 |
| 9 | 4s | 2.056481 | .00005435 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198488 | < R2 > | .053097 | < 1/R > | 7.644307 | < 1/R**2 > | 118.430446 |
Total Energy= -74.40651496 a.u.
Kinetic Energy= 74.40594755 a.u.
Potential Energy= -148.81246250 a.u.
Virial Ratio = -2.00000763