(1s 2 2s 2 2p 1 4s 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 11.752037 | .12803302 |
| 2 | 2s | 3.095599 | -1.72696346 |
| 3 | 3s | 3.154550 | 3.56646282 |
| 4 | 4s | 2.642842 | -2.44896353 |
| 5 | 5s | 10.006185 | -.03177709 |
| 6 | 4s | 13.252831 | -.02457909 |
| 7 | 5s | 21.753610 | .00129218 |
| 8 | 5s | 2.000806 | .00314979 |
| 9 | 4s | 57.827711 | -.00004701 |
| ORB.ENERGY,a.u. | -3.558800 | ||
| NORM | .999999 | < R > | 2.119346 | < R2 > | 5.045301 | < 1/R > | .684016 | < 1/R**2 > | 3.746872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.149879 | 1.08742654 |
| 2 | 3p | 7.567914 | -.10333575 |
| 3 | 2p | 14.532027 | .01538441 |
| 4 | 5p | 16.498562 | .00321967 |
| 5 | 4p | 31.547709 | -.00042410 |
| 6 | 5p | 5.302356 | .00355860 |
| 7 | 5p | 104.317772 | -.00000599 |
| 8 | 4p | 3.827540 | -.00192167 |
| ORB.ENERGY,a.u. | -17.012000 | ||
| NORM | 1.000000 | < R > | .397131 | < R2 > | .190927 | < 1/R > | 3.183367 | < 1/R**2 > | 13.716249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.795158 | .37952211 |
| 2 | 2s | 5.849944 | -.80068870 |
| 3 | 3s | 7.906469 | -.28337518 |
| 4 | 4s | 28.667469 | .00130141 |
| 5 | 5s | 15.727556 | -.01280532 |
| 6 | 5s | 2.732048 | .00215601 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456709 | < R2 > | .244087 | < 1/R > | 3.211054 | < 1/R**2 > | 41.710167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.169923 | .93280221 |
| 2 | 1s | 22.030181 | .06679913 |
| 3 | 2s | 13.412481 | .01866074 |
| 4 | 3s | 16.473197 | -.01613394 |
| 5 | 4s | 80.453574 | -.00004729 |
| 6 | 5s | 34.676092 | .00097419 |
| 7 | 5s | 7.001156 | .00017326 |
| 8 | 3s | 1.558908 | -.00014424 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102971 | < R2 > | .014204 | < 1/R > | 14.647938 | < 1/R**2 > | 431.992636 |
Total Energy= -279.64226450 a.u.
Kinetic Energy= 279.64794993 a.u.
Potential Energy= -559.29021442 a.u.
Virial Ratio = -1.99997967