(1s 2 2s 1 4p 1 ) 3 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | .993019 | 1.68059314 |
| 2 | 3p | 1.197555 | -2.21807965 |
| 3 | 4p | .767296 | 1.93988433 |
| 4 | 5p | 1.183413 | -.92685766 |
| 5 | 2p | 8.282041 | .00325190 |
| 6 | 5p | 3.802147 | -.01960289 |
| 7 | 3p | 7.123677 | .00420314 |
| ORB.ENERGY,a.u. | -.307650 | ||
| NORM | 1.000004 | < R > | 7.006714 | < R2 > | 55.610222 | < 1/R > | .204717 | < 1/R**2 > | .121325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.103782 | .32281494 |
| 2 | 2s | 2.171745 | -.85697001 |
| 3 | 3s | 2.669990 | -.22255623 |
| 4 | 4s | 5.169948 | .03852550 |
| 5 | 3s | 6.774827 | .03016158 |
| 6 | 5s | 5.137674 | -.02439334 |
| 7 | 4s | 2.178689 | -.02239949 |
| 8 | 5s | 10.639444 | .00138677 |
| 9 | 5s | 1.058165 | .00091581 |
| 10 | 2s | 21.999381 | .00008164 |
| ORB.ENERGY,a.u. | -2.164600 | ||
| NORM | 1.000000 | < R > | 1.284569 | < R2 > | 1.926996 | < 1/R > | 1.112898 | < 1/R**2 > | 4.987024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.278897 | .88470476 |
| 2 | 1s | 8.628685 | .12383879 |
| 3 | 2s | 4.591035 | .01917358 |
| 4 | 3s | 6.755694 | -.02197471 |
| 5 | 4s | 11.120887 | .00560072 |
| 6 | 5s | 6.526492 | -.00620727 |
| 7 | 5s | 44.655122 | -.00001742 |
| 8 | 4s | 2.799922 | .00050751 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267400 | < R2 > | .096274 | < 1/R > | 5.678394 | < 1/R**2 > | 65.483681 |
Total Energy= -35.03214308 a.u.
Kinetic Energy= 35.03369482 a.u.
Potential Energy= -70.06583790 a.u.
Virial Ratio = -1.99995571