(1s 2 2s 2 2p 3 4s 1 ) 5 S O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 8.412063 | .02307998 |
| 2 | 2s | .713141 | -.37246969 |
| 3 | 3s | .798569 | 1.12847019 |
| 4 | 4s | .395176 | -1.12331944 |
| 5 | 5s | 1.182229 | -.21403518 |
| 6 | 4s | 4.104081 | -.05234012 |
| 7 | 5s | 7.269909 | -.02092335 |
| 8 | 4s | 9.068131 | -.01235132 |
| 9 | 2s | 15.611858 | .00058321 |
| 10 | 5s | .223494 | -.00244634 |
| ORB.ENERGY,a.u. | -.063790 | ||
| NORM | .999999 | < R > | 11.838059 | < R2 > | 158.700528 | < 1/R > | .115000 | < 1/R**2 > | .098358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.017138 | .72046653 |
| 2 | 2p | 3.529453 | .28863278 |
| 3 | 2p | 7.601093 | .02027138 |
| 4 | 3p | 1.070017 | -.00380791 |
| 5 | 4p | 1.714602 | .03224186 |
| 6 | 5p | 9.673312 | .00382483 |
| 7 | 5p | .412939 | -.00019426 |
| ORB.ENERGY,a.u. | -1.135900 | ||
| NORM | 1.000000 | < R > | 1.079198 | < R2 > | 1.464775 | < 1/R > | 1.224754 | < 1/R**2 > | 2.137506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.646521 | .29769426 |
| 2 | 2s | 2.874381 | -.80705846 |
| 3 | 3s | 2.243772 | -.32912149 |
| 4 | 4s | 14.074933 | .00662253 |
| 5 | 5s | 11.265773 | .01064934 |
| 6 | 5s | .448964 | .00784892 |
| 7 | 4s | 1.389442 | -.04601680 |
| 8 | 2s | 21.473679 | -.00030796 |
| 9 | 3s | 1.271023 | .05907754 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.091583 | < R2 > | 1.436749 | < 1/R > | 1.318491 | < 1/R**2 > | 7.115378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128377 | .84422586 |
| 2 | 1s | 10.422945 | .16389848 |
| 3 | 2s | 7.709315 | -.00679665 |
| 4 | 3s | 4.408323 | .00286605 |
| 5 | 4s | 15.203359 | .00488886 |
| 6 | 5s | .434843 | -.00023654 |
| 7 | 5s | 35.460699 | .00003288 |
| 8 | 5s | 1.660717 | .00014017 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198484 | < R2 > | .053080 | < 1/R > | 7.644395 | < 1/R**2 > | 118.432398 |
Total Energy= -74.43484517 a.u.
Kinetic Energy= 74.43637635 a.u.
Potential Energy= -148.87122152 a.u.
Virial Ratio = -1.99997943