(1s 2 2s 2 2p 2 4s 1 ) 2 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 11.942497 | .11063295 |
| 2 | 2s | 3.138979 | -1.38604145 |
| 3 | 3s | 2.811054 | 3.61165553 |
| 4 | 4s | 2.462697 | -2.67886010 |
| 5 | 5s | 3.868282 | -.23880062 |
| 6 | 4s | 12.100857 | -.01039799 |
| 7 | 5s | 35.382583 | .00024640 |
| 8 | 5s | 1.762979 | -.00267796 |
| ORB.ENERGY,a.u. | -2.967700 | ||
| NORM | 1.000001 | < R > | 2.288474 | < R2 > | 5.878616 | < 1/R > | .620803 | < 1/R**2 > | 2.986084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.805095 | 1.14001127 |
| 2 | 3p | 6.787895 | -.16471476 |
| 3 | 2p | 14.557490 | .02138953 |
| 4 | 4p | 17.792907 | .00778394 |
| 5 | 5p | 25.536296 | -.00174235 |
| 6 | 5p | 2.916795 | .00021406 |
| 7 | 4p | 69.347996 | .00003255 |
| ORB.ENERGY,a.u. | -15.021000 | ||
| NORM | 1.000000 | < R > | .409863 | < R2 > | .204066 | < 1/R > | 3.097268 | < 1/R**2 > | 13.048155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.742283 | .42214073 |
| 2 | 2s | 6.562052 | -.86831491 |
| 3 | 3s | 6.722261 | -.27427776 |
| 4 | 4s | 25.465252 | .00259856 |
| 5 | 3s | 12.842571 | .02809525 |
| 6 | 5s | 7.104358 | -.04404385 |
| 7 | 4s | 2.093847 | -.02259513 |
| 8 | 3s | 1.745789 | .01760215 |
| 9 | 5s | 71.575756 | .00001979 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .466416 | < R2 > | .255191 | < 1/R > | 3.139988 | < 1/R**2 > | 40.026275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.226310 | .91448645 |
| 2 | 1s | 21.076594 | .07773281 |
| 3 | 2s | 14.716924 | .01621002 |
| 4 | 3s | 7.365270 | -.02822594 |
| 5 | 5s | 14.354624 | .01266524 |
| 6 | 3s | 41.564810 | -.00039120 |
| 7 | 5s | 9.361061 | .01677825 |
| 8 | 4s | 1.885349 | .00174733 |
| 9 | 3s | 1.479090 | -.00123768 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103198 | < R2 > | .014282 | < 1/R > | 14.627300 | < 1/R**2 > | 431.047926 |
Total Energy= -294.67657528 a.u.
Kinetic Energy= 294.65764193 a.u.
Potential Energy= -589.33421720 a.u.
Virial Ratio = -2.00006426