(1s 2 2s 2 ) 3 S S 12+
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 | 13.283651 | .40926948 |
| 2 | 2s | 6.693205 | -.80108955 |
| 3 | 3s | 8.232511 | -.29438519 |
| 4 | 5s | 14.796844 | -.01996824 |
| 5 | 4s | 28.625065 | .00132155 |
| 6 | 5s | 20.269728 | -.00483113 |
| 7 | 2s | 39.195909 | -.00004158 |
| ORB.ENERGY,a.u. | -23.773000 | ||
| NORM | 1.000000 | < R > | .415103 | < R2 > | .201215 | < 1/R > | 3.543577 | < 1/R**2 > | 50.570010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.449061 | .94594521 |
| 2 | 1s | 26.062762 | .03878828 |
| 3 | 2s | 21.021401 | .01710969 |
| 4 | 3s | 15.371492 | .00444793 |
| 5 | 4s | 61.704495 | -.00056339 |
| 6 | 5s | 81.844956 | .00020948 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096143 | < R2 > | .012368 | < 1/R > | 15.670609 | < 1/R**2 > | 493.894935 |
Total Energy= -295.67863084 a.u.
Kinetic Energy= 295.67864111 a.u.
Potential Energy= -591.35727195 a.u.
Virial Ratio = -1.99999997