(1s 1 2s 1 ) 3 S N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 5.658138 | .42199800 |
| 2 | 2s | 3.065280 | -.80235118 |
| 3 | 3s | 3.748312 | -.33061059 |
| 4 | 4s | 8.703784 | .00659027 |
| 5 | 5s | 3.597021 | -.01874802 |
| 6 | 4s | 3.176994 | .00422956 |
| ORB.ENERGY,a.u. | -4.875500 | ||
| NORM | 1.000000 | < R > | .932547 | < R2 > | 1.012577 | < 1/R > | 1.555551 | < 1/R**2 > | 9.510664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.885950 | .75831679 |
| 2 | 1s | 7.082048 | .25668235 |
| 3 | 2s | 7.381890 | -.01358844 |
| 4 | 3s | 7.381502 | -.00465512 |
| 5 | 4s | 7.101173 | .00157908 |
| 6 | 5s | 13.201521 | -.00060936 |
| 7 | 5s | 5.826550 | -.00008329 |
| ORB.ENERGY,a.u. | -23.251000 |
| NORM | 1.000000 | < R > | .214116 | < R2 > | .061149 | < 1/R > | 7.006351 | < 1/R**2 > | 98.165597 |
Total Energy= -29.29552844 a.u.
Kinetic Energy= 29.35587311 a.u.
Potential Energy= -58.65140155 a.u.
Virial Ratio = -1.99794437