(1s 2 2s 2 2p 3 5s 1 ) 5 S O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5.112534 | .03054109 |
| 2 | 2s | 2.338878 | -.07442648 |
| 3 | 3s | .788268 | .31052689 |
| 4 | 4s | .377002 | -2.15227292 |
| 5 | 5s | .271656 | .91595322 |
| 6 | 3s | 6.969808 | .00499307 |
| 7 | 2s | 4.747199 | -.02332441 |
| 8 | 3s | .246000 | 1.49554645 |
| 9 | 4s | 33.258251 | -.00000833 |
| ORB.ENERGY,a.u. | -.034540 | ||
| NORM | 1.000006 | < R > | 21.779726 | < R2 > | 532.977679 | < 1/R > | .063934 | < 1/R**2 > | .038847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.018546 | .72057980 |
| 2 | 2p | 3.529540 | .28835533 |
| 3 | 2p | 7.596442 | .02033777 |
| 4 | 3p | 1.138568 | -.00411982 |
| 5 | 4p | 1.739523 | .03220897 |
| 6 | 5p | 9.677363 | .00384377 |
| ORB.ENERGY,a.u. | -1.191600 | ||
| NORM | 1.000000 | < R > | 1.078373 | < R2 > | 1.461905 | < 1/R > | 1.225324 | < 1/R**2 > | 2.139093 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.677269 | .29579729 |
| 2 | 2s | 2.884356 | -.79811965 |
| 3 | 3s | 2.291514 | -.31875318 |
| 4 | 4s | 14.910581 | .00659897 |
| 5 | 5s | 11.532618 | .01214305 |
| 6 | 5s | 1.303254 | -.00192432 |
| 7 | 4s | .377526 | .01166043 |
| 8 | 3s | 44.996191 | -.00006183 |
| 9 | 3s | .222968 | -.01238324 |
| 10 | 2s | 64.614438 | -.00001279 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.090319 | < R2 > | 1.434504 | < 1/R > | 1.319327 | < 1/R**2 > | 7.122559 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.124266 | .84616601 |
| 2 | 1s | 10.537282 | .16056473 |
| 3 | 2s | 4.868250 | -.00589869 |
| 4 | 3s | 3.100740 | .00090468 |
| 5 | 4s | 15.107337 | .00407853 |
| 6 | 5s | 7.090590 | .00406068 |
| 7 | 5s | 57.600888 | -.00001465 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198485 | < R2 > | .053072 | < 1/R > | 7.644353 | < 1/R**2 > | 118.431496 |
Total Energy= -74.40654488 a.u.
Kinetic Energy= 74.40713434 a.u.
Potential Energy= -148.81367921 a.u.
Virial Ratio = -1.99999208