(1s 2 2s 2 2p 4 ) 1 S S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 6.069110 | 1.34076195 |
| 2 | 3p | 7.887294 | -.41169452 |
| 3 | 4p | 9.452046 | .06057015 |
| 4 | 5p | 5.988943 | .01745084 |
| 5 | 5p | 36.870908 | -.00019435 |
| 6 | 3p | 18.533281 | -.00321088 |
| ORB.ENERGY,a.u. | -13.230000 | ||
| NORM | 1.000000 | < R > | .407183 | < R2 > | .203350 | < 1/R > | 3.152691 | < 1/R**2 > | 13.686344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.763595 | .39689975 |
| 2 | 2s | 6.694694 | -.87745225 |
| 3 | 3s | 6.188349 | -.27044293 |
| 4 | 4s | 5.167159 | -.00272575 |
| 5 | 3s | 16.008019 | .01409384 |
| 6 | 5s | 35.224704 | .00060581 |
| 7 | 2s | 101.749665 | .00000350 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .452070 | < R2 > | .240550 | < 1/R > | 3.236272 | < 1/R**2 > | 42.792935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.162929 | .93762671 |
| 2 | 1s | 23.609012 | .06074984 |
| 3 | 2s | 13.051276 | .01868535 |
| 4 | 3s | 19.154107 | -.01488933 |
| 5 | 4s | 29.240387 | .00264622 |
| 6 | 5s | 53.489995 | .00010146 |
| 7 | 5s | 10.944850 | .00063845 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096876 | < R2 > | .012598 | < 1/R > | 15.594199 | < 1/R**2 > | 490.154300 |
Total Energy= -365.25930611 a.u.
Kinetic Energy= 364.62628941 a.u.
Potential Energy= -729.88559552 a.u.
Virial Ratio = -2.00173607