(1s 1 3s 1 ) 3 S N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 4.654660 | .30289573 |
| 2 | 2s | 2.459488 | -1.30227331 |
| 3 | 3s | 2.004152 | 1.88299246 |
| 4 | 4s | 3.396621 | -.20663481 |
| 5 | 5s | 6.096383 | -.02234584 |
| 6 | 5s | 1.641839 | -.00340073 |
| 7 | 4s | 23.790638 | -.00007072 |
| 8 | 3s | 50.350169 | -.00000237 |
| ORB.ENERGY,a.u. | -2.115600 | ||
| NORM | 1.000000 | < R > | 2.147980 | < R2 > | 5.237763 | < 1/R > | .682675 | < 1/R**2 > | 2.732360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.882293 | .75770546 |
| 2 | 1s | 7.101365 | .25599035 |
| 3 | 2s | 7.063927 | -.01459526 |
| 4 | 3s | 7.878505 | -.00119612 |
| 5 | 4s | 7.868986 | .00013598 |
| 6 | 5s | 14.085686 | -.00017023 |
| ORB.ENERGY,a.u. | -23.893000 |
| NORM | 1.000000 | < R > | .214261 | < R2 > | .061219 | < 1/R > | 7.001316 | < 1/R**2 > | 98.036777 |
Total Energy= -26.58269756 a.u.
Kinetic Energy= 26.59840943 a.u.
Potential Energy= -53.18110699 a.u.
Virial Ratio = -1.99940929