(1s 2 2s 1 2p 1 ) 3 P S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 6.874931 | .89103134 |
| 2 | 2p | 8.728494 | .08444219 |
| 3 | 2p | 18.694759 | .00795439 |
| 4 | 3p | 6.974627 | .02777603 |
| 5 | 4p | 12.388700 | -.00265393 |
| 6 | 5p | 59.795410 | .00002767 |
| 7 | 3p | 51.096613 | .00003302 |
| ORB.ENERGY,a.u. | -23.006000 | ||
| NORM | 1.000000 | < R > | .358653 | < R2 > | .155021 | < 1/R > | 3.507079 | < 1/R**2 > | 16.555477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.228418 | .41376955 |
| 2 | 2s | 6.744992 | -.80730904 |
| 3 | 3s | 8.243774 | -.29646875 |
| 4 | 5s | 14.670403 | -.01938405 |
| 5 | 4s | 29.856992 | .00311688 |
| 6 | 5s | 42.157823 | -.00057507 |
| ORB.ENERGY,a.u. | -24.077000 | ||
| NORM | 1.000000 | < R > | .414227 | < R2 > | .200284 | < 1/R > | 3.555273 | < 1/R**2 > | 50.992919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.401446 | .93655940 |
| 2 | 1s | 23.988525 | .05061035 |
| 3 | 2s | 18.170707 | .01646247 |
| 4 | 3s | 17.174415 | .00108048 |
| 5 | 4s | 62.177065 | -.00046231 |
| 6 | 5s | 81.908007 | .00017272 |
| 7 | 5s | 17.669161 | .00167328 |
| 8 | 4s | 8.227846 | -.00011084 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096282 | < R2 > | .012410 | < 1/R > | 15.656305 | < 1/R**2 > | 493.217752 |
Total Energy= -294.74627816 a.u.
Kinetic Energy= 294.96719993 a.u.
Potential Energy= -589.71347809 a.u.
Virial Ratio = -1.99925103