(1s 2 2s 2 2p 4 ) 3 P F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2.278837 | .73094805 |
| 2 | 2p | 4.132733 | .27821825 |
| 3 | 2p | 8.467773 | .01974760 |
| 4 | 3p | 2.492188 | -.01850920 |
| 5 | 4p | 2.082758 | .06040708 |
| 6 | 5p | 11.045436 | .00356046 |
| ORB.ENERGY,a.u. | -1.222200 | ||
| NORM | 1.000000 | < R > | .969861 | < R2 > | 1.195245 | < 1/R > | 1.377838 | < 1/R**2 > | 2.732183 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.507520 | .30148326 |
| 2 | 2s | 3.289135 | -.82602892 |
| 3 | 3s | 2.525100 | -.27429355 |
| 4 | 4s | 10.262615 | .01254499 |
| 5 | 3s | 11.381201 | .01114492 |
| 6 | 5s | 3.849836 | -.02846871 |
| 7 | 5s | 37.299046 | -.00010695 |
| 8 | 4s | 1.879410 | -.00206030 |
| 9 | 2s | 60.921941 | .00000815 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .960919 | < R2 > | 1.108601 | < 1/R > | 1.503346 | < 1/R**2 > | 9.296225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.089998 | .85213054 |
| 2 | 1s | 11.706540 | .15606390 |
| 3 | 2s | 9.306402 | -.00610550 |
| 4 | 3s | 5.503859 | .00405252 |
| 5 | 4s | 17.207250 | .00402651 |
| 6 | 5s | 84.081096 | -.00000464 |
| 7 | 3s | 8.819653 | -.00153385 |
| 8 | 5s | 3.487826 | .00022124 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632444 | < 1/R**2 > | 150.887069 |
Total Energy= -98.83171945 a.u.
Kinetic Energy= 98.83171832 a.u.
Potential Energy= -197.66343777 a.u.
Virial Ratio = -2.00000001