(1s 1 2p 1 ) 3 P S 14+
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 | 7.574302 | .98770343 |
| 2 | 2p | 15.056488 | .01200016 |
| 3 | 3p | 7.510275 | .00786327 |
| 4 | 4p | 8.978680 | -.00418272 |
| 5 | 5p | 30.159004 | -.00043995 |
| ORB.ENERGY,a.u. | -28.944000 | ||
| NORM | 1.000000 | < R > | .328483 | < R2 > | .129731 | < 1/R > | 3.816201 | < 1/R**2 > | 19.500776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.728977 | .92836796 |
| 2 | 1s | 19.942444 | .06661507 |
| 3 | 2s | 17.117875 | .01108950 |
| 4 | 3s | 19.577403 | -.00492426 |
| 5 | 5s | 14.295299 | .00056269 |
| 6 | 2s | 56.925179 | -.00000601 |
| ORB.ENERGY,a.u. | -124.940000 |
| NORM | 1.000000 | < R > | .094115 | < R2 > | .011827 | < 1/R > | 15.957981 | < 1/R**2 > | 509.862105 |
Total Energy= -156.33570142 a.u.
Kinetic Energy= 156.45763198 a.u.
Potential Energy= -312.79333340 a.u.
Virial Ratio = -1.99922068