(1s 1 2s 1 ) 3 S C 4+
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 | 4.887517 | .40639946 |
| 2 | 2s | 2.576546 | -.79381434 |
| 3 | 3s | 3.169013 | -.32741482 |
| 4 | 4s | 7.459349 | .00747073 |
| 5 | 5s | 3.046998 | -.01690346 |
| ORB.ENERGY,a.u. | -3.429500 | ||
| NORM | 1.000000 | < R > | 1.104734 | < R2 > | 1.420814 | < 1/R > | 1.305724 | < 1/R**2 > | 6.672365 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.896673 | .75879559 |
| 2 | 1s | 6.085519 | .25641313 |
| 3 | 2s | 6.367946 | -.01337675 |
| 4 | 3s | 6.354107 | -.00512100 |
| 5 | 4s | 6.016844 | .00164133 |
| 6 | 5s | 11.308068 | -.00066683 |
| 7 | 5s | 4.872012 | -.00009585 |
| ORB.ENERGY,a.u. | -16.930000 |
| NORM | 1.000000 | < R > | .249775 | < R2 > | .083216 | < 1/R > | 6.006111 | < 1/R**2 > | 72.136190 |
Total Energy= -21.36954927 a.u.
Kinetic Energy= 21.41900185 a.u.
Potential Energy= -42.78855112 a.u.
Virial Ratio = -1.99769118