(1s 2 2s 2 2p 2 3s 1 ) 2 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 7.902413 | .09059726 |
| 2 | 2s | 2.365288 | -.45525789 |
| 3 | 3s | 1.354882 | 1.16931342 |
| 4 | 4s | 6.530355 | -.03234906 |
| 5 | 5s | 11.612912 | -.00417070 |
| 6 | 4s | 1.017236 | .00506184 |
| 7 | 4s | 17.562738 | -.00047439 |
| 8 | 3s | 75.313340 | .00000514 |
| ORB.ENERGY,a.u. | -.815620 | ||
| NORM | 1.000000 | < R > | 2.836633 | < R2 > | 9.038965 | < 1/R > | .454872 | < 1/R**2 > | 1.055998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.772650 | .83398492 |
| 2 | 2p | 4.794623 | .19103862 |
| 3 | 2p | 10.286604 | .00805003 |
| 4 | 3p | 1.449840 | .02056637 |
| 5 | 4p | 3.291917 | -.01055934 |
| 6 | 5p | 21.147329 | -.00031022 |
| 7 | 5p | 1.796561 | -.01232117 |
| 8 | 4p | 91.641978 | .00000240 |
| ORB.ENERGY,a.u. | -2.721600 | ||
| NORM | 1.000000 | < R > | .821190 | < R2 > | .829840 | < 1/R > | 1.571235 | < 1/R**2 > | 3.427644 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.422495 | .33626732 |
| 2 | 2s | 3.419252 | -.86154477 |
| 3 | 3s | 3.047012 | -.26342156 |
| 4 | 4s | 10.486760 | .01810977 |
| 5 | 3s | 12.932974 | .00699018 |
| 6 | 5s | 1.819248 | .01338276 |
| 7 | 5s | 18.567496 | .00140059 |
| 8 | 3s | .961103 | .00187823 |
| 9 | 4s | 47.107850 | -.00003276 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .873575 | < R2 > | .898680 | < 1/R > | 1.646891 | < 1/R**2 > | 11.024713 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.302084 | .68594171 |
| 2 | 1s | 12.178604 | .22174688 |
| 3 | 2s | 9.099787 | .12650798 |
| 4 | 3s | 10.516861 | -.02745369 |
| 5 | 4s | 17.091535 | .00683808 |
| 6 | 1s | 3.930481 | .00714163 |
| 7 | 5s | 1.972338 | -.00088707 |
| 8 | 5s | 22.254354 | -.00105728 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175261 | < R2 > | .041323 | < 1/R > | 8.644397 | < 1/R**2 > | 151.200400 |
Total Energy= -96.15136537 a.u.
Kinetic Energy= 96.13467492 a.u.
Potential Energy= -192.28604029 a.u.
Virial Ratio = -2.00017362