(1s 1 3s 1 ) 3 S F 7+
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 | 5.726027 | .33602983 |
| 2 | 2s | 3.057934 | -1.59716998 |
| 3 | 3s | 2.689250 | 2.12946740 |
| 4 | 4s | 4.270061 | -.17030026 |
| 5 | 5s | 7.392480 | -.02335307 |
| 6 | 4s | 15.680147 | .00068708 |
| 7 | 5s | 28.350158 | -.00009298 |
| ORB.ENERGY,a.u. | -3.736000 | ||
| NORM | 1.000000 | < R > | 1.628731 | < R2 > | 3.011720 | < 1/R > | .904881 | < 1/R**2 > | 4.830671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.857099 | .75728174 |
| 2 | 1s | 9.101296 | .25653945 |
| 3 | 2s | 9.064181 | -.01496111 |
| 4 | 3s | 10.258799 | -.00094209 |
| 5 | 4s | 10.362831 | .00007927 |
| 6 | 5s | 18.288990 | -.00014327 |
| ORB.ENERGY,a.u. | -39.736000 |
| NORM | 1.000000 | < R > | .166652 | < R2 > | .037035 | < 1/R > | 9.001359 | < 1/R**2 > | 162.049336 |
Total Energy= -44.16718426 a.u.
Kinetic Energy= 44.18863929 a.u.
Potential Energy= -88.35582356 a.u.
Virial Ratio = -1.99951447