(1s 2 3s 1 ) 2 S C 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 4.944877 | .17640178 |
| 2 | 2s | 1.307381 | -1.78486379 |
| 3 | 3s | 1.387700 | 2.57715843 |
| 4 | 4s | 2.830268 | -.17510280 |
| 5 | 5s | 4.956209 | -.04036074 |
| 6 | 4s | 9.994997 | .00474758 |
| 7 | 5s | 1.433230 | -.03579375 |
| 8 | 5s | 25.595457 | .00012777 |
| 9 | 4s | 105.175375 | -.00000286 |
| ORB.ENERGY,a.u. | -.989150 | ||
| NORM | 1.000000 | < R > | 3.041066 | < R2 > | 10.505391 | < 1/R > | .476472 | < 1/R**2 > | 1.360940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.222852 | .71468827 |
| 2 | 1s | 8.146349 | .23032705 |
| 3 | 2s | 6.418727 | .08100945 |
| 4 | 3s | 6.164541 | -.01422319 |
| 5 | 4s | 10.254590 | .00449392 |
| 6 | 5s | 3.017867 | -.00014351 |
| 7 | 5s | 30.384322 | -.00014867 |
| 8 | 3s | 30.107844 | -.00008258 |
| ORB.ENERGY,a.u. | -13.883000 |
| NORM | 1.000000 | < R > | .266880 | < R2 > | .095806 | < 1/R > | 5.685624 | < 1/R**2 > | 65.618306 |
Total Energy= -33.35002950 a.u.
Kinetic Energy= 33.35002690 a.u.
Potential Energy= -66.70005640 a.u.
Virial Ratio = -2.00000008