(1s 1 2s 1 ) 1 S C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2.559605 | .37203057 |
| 2 | 2s | 2.404094 | -1.01407860 |
| 3 | 3s | 3.694713 | -.29737688 |
| 4 | 4s | 10.591225 | .00552190 |
| 5 | 5s | 2.581696 | .04662017 |
| 6 | 4s | 2.181118 | -.02246596 |
| 7 | 3s | 14.486458 | .00037187 |
| ORB.ENERGY,a.u. | -3.401600 | ||
| NORM | 1.000000 | < R > | 1.112252 | < R2 > | 1.416880 | < 1/R > | 1.062863 | < 1/R**2 > | 1.836878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.912783 | .89087182 |
| 2 | 1s | 6.071346 | .16472447 |
| 3 | 2s | 2.561613 | -.15403090 |
| 4 | 3s | 3.056370 | -.04731734 |
| 5 | 4s | 13.734924 | .00103516 |
| 6 | 5s | 19.498528 | -.00024864 |
| 7 | 5s | 11.314507 | .00027369 |
| ORB.ENERGY,a.u. | -16.902000 |
| NORM | 1.000000 | < R > | .247339 | < R2 > | .098835 | < 1/R > | 6.243048 | < 1/R**2 > | 76.924820 |
Total Energy= -21.41137578 a.u.
Kinetic Energy= 21.39116612 a.u.
Potential Energy= -42.80254190 a.u.
Virial Ratio = -2.00094477