(1s 1 2s 1 ) 3 S P 13+
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 | 11.556912 | .49057225 |
| 2 | 2s | 6.998427 | -.88700538 |
| 3 | 3s | 8.339243 | -.29729319 |
| 4 | 4s | 18.866408 | .00342689 |
| 5 | 5s | 8.152402 | -.01130280 |
| ORB.ENERGY,a.u. | -25.781000 | ||
| NORM | 1.000000 | < R > | .415449 | < R2 > | .201135 | < 1/R > | 3.554922 | < 1/R**2 > | 50.219101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.768454 | .88931641 |
| 2 | 1s | 17.405645 | .10541073 |
| 3 | 2s | 16.509864 | .01061548 |
| 4 | 3s | 17.063414 | -.00489135 |
| 5 | 4s | 41.256417 | .00011571 |
| 6 | 5s | 9.363194 | -.00001103 |
| ORB.ENERGY,a.u. | -110.160000 |
| NORM | 1.000000 | < R > | .099960 | < R2 > | .013325 | < 1/R > | 15.007115 | < 1/R**2 > | 450.401118 |
Total Energy= -137.70394309 a.u.
Kinetic Energy= 137.85183594 a.u.
Potential Energy= -275.55577903 a.u.
Virial Ratio = -1.99892716