(1s 2 2s 2 ) 3 S C 2+
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 | 5.016656 | .30454371 |
| 2 | 2s | 2.149924 | -.86236552 |
| 3 | 3s | 2.116860 | -.23061984 |
| 4 | 4s | 7.896139 | .02134832 |
| 5 | 4s | 5.845490 | .02090536 |
| 6 | 5s | 2.154345 | -.02516936 |
| 7 | 5s | 15.591080 | .00053192 |
| 8 | 3s | 9.228369 | .00769484 |
| ORB.ENERGY,a.u. | -1.683100 | ||
| NORM | 1.000000 | < R > | 1.371946 | < R2 > | 2.214566 | < 1/R > | 1.034131 | < 1/R**2 > | 4.282048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.279904 | .88639378 |
| 2 | 1s | 8.711407 | .12098530 |
| 3 | 2s | 5.104419 | .01994531 |
| 4 | 3s | 6.885922 | -.02270312 |
| 5 | 4s | 11.156946 | .00573513 |
| 6 | 5s | 6.781046 | -.00486642 |
| 7 | 5s | 45.302622 | -.00001640 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267410 | < R2 > | .096250 | < 1/R > | 5.677214 | < 1/R**2 > | 65.453091 |
Total Energy= -36.40849569 a.u.
Kinetic Energy= 36.40849599 a.u.
Potential Energy= -72.81699168 a.u.
Virial Ratio = -1.99999999