(1s 2 2s 2 2p 3 3s 1 ) 5 S O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 3s- electron | |
| 1 | 1s | 6.820430 | .06447649 |
| 2 | 2s | 2.487847 | -.23754851 |
| 3 | 3s | .716325 | .84697008 |
| 4 | 4s | 1.321915 | .13454433 |
| 5 | 5s | 6.997536 | -.00935426 |
| 6 | 4s | 14.809058 | .00080500 |
| 7 | 5s | .662488 | .06772535 |
| 8 | 2s | 50.359608 | -.00000256 |
| ORB.ENERGY,a.u. | -.157400 | ||
| NORM | 1.000000 | < R > | 4.865722 | < R2 > | 27.470707 | < 1/R > | .271184 | < 1/R**2 > | .402043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.022092 | .71670969 |
| 2 | 2p | 3.519222 | .28739806 |
| 3 | 2p | 7.563446 | .02074829 |
| 4 | 3p | .683388 | .00136986 |
| 5 | 4p | 1.703986 | .03605587 |
| 6 | 5p | 9.648555 | .00394900 |
| ORB.ENERGY,a.u. | -.994200 | ||
| NORM | 1.000000 | < R > | 1.083940 | < R2 > | 1.482194 | < 1/R > | 1.221718 | < 1/R**2 > | 2.129243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.732265 | .29105120 |
| 2 | 2s | 2.794255 | -.86413095 |
| 3 | 3s | 1.832965 | -.35782072 |
| 4 | 3s | 9.857593 | .01228529 |
| 5 | 4s | 9.402747 | .01143841 |
| 6 | 5s | 2.212370 | .12210887 |
| 7 | 5s | 35.304376 | -.00006747 |
| 8 | 4s | .863699 | -.01231550 |
| 9 | 3s | .533727 | -.00419829 |
| 10 | 2s | 51.534394 | .00000735 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.099426 | < R2 > | 1.463626 | < 1/R > | 1.313161 | < 1/R**2 > | 7.070287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.131088 | .84539508 |
| 2 | 1s | 10.476943 | .16172140 |
| 3 | 2s | 6.709690 | -.00620264 |
| 4 | 3s | 4.827520 | .00361755 |
| 5 | 4s | 15.192492 | .00463382 |
| 6 | 5s | 31.460363 | .00002855 |
| 7 | 5s | 2.208972 | .00021891 |
| 8 | 4s | .815403 | .00042274 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198473 | < R2 > | .053069 | < 1/R > | 7.644625 | < 1/R**2 > | 118.437396 |
Total Energy= -74.52323891 a.u.
Kinetic Energy= 74.52991212 a.u.
Potential Energy= -149.05315103 a.u.
Virial Ratio = -1.99991046