(1s 2 2s 2 2p 3 4s 1 ) 5 S S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 12.837134 | .11084481 |
| 2 | 2s | 3.254473 | -1.46732903 |
| 3 | 3s | 3.163877 | 3.09055901 |
| 4 | 4s | 2.475865 | -2.07846810 |
| 5 | 5s | 4.551297 | -.20159458 |
| 6 | 4s | 13.235872 | -.01627488 |
| 7 | 5s | 19.206756 | .00026493 |
| 8 | 4s | 55.216683 | -.00004296 |
| ORB.ENERGY,a.u. | -3.076500 | ||
| NORM | 1.000000 | < R > | 2.209458 | < R2 > | 5.484039 | < 1/R > | .652401 | < 1/R**2 > | 3.469597 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.250678 | 1.30174427 |
| 2 | 3p | 7.974223 | -.37219917 |
| 3 | 4p | 9.817715 | .06708458 |
| 4 | 5p | 34.157552 | -.00029291 |
| 5 | 4p | 3.456962 | .01566714 |
| 6 | 3p | 18.909568 | -.00313133 |
| 7 | 5p | 3.812240 | -.01246310 |
| ORB.ENERGY,a.u. | -15.915000 | ||
| NORM | 1.000000 | < R > | .390077 | < R2 > | .185332 | < 1/R > | 3.264122 | < 1/R**2 > | 14.538663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.581898 | .41398359 |
| 2 | 2s | 6.902692 | -.87391652 |
| 3 | 3s | 6.458542 | -.29168431 |
| 4 | 4s | 27.155364 | .00193527 |
| 5 | 3s | 14.626705 | .01826308 |
| 6 | 5s | 4.768872 | -.00696591 |
| 7 | 4s | 2.361026 | .00745819 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .443368 | < R2 > | .230954 | < 1/R > | 3.303496 | < 1/R**2 > | 44.453691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176777 | .93642636 |
| 2 | 1s | 23.401243 | .06197005 |
| 3 | 2s | 12.834362 | .01841862 |
| 4 | 3s | 18.327624 | -.01526375 |
| 5 | 4s | 27.025833 | .00290002 |
| 6 | 5s | 49.966315 | .00026019 |
| 7 | 5s | 6.410294 | .00038780 |
| 8 | 4s | 1.970434 | -.00039980 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096731 | < R2 > | .012553 | < 1/R > | 15.608846 | < 1/R**2 > | 490.863665 |
Total Energy= -354.45842654 a.u.
Kinetic Energy= 354.47452969 a.u.
Potential Energy= -708.93295622 a.u.
Virial Ratio = -1.99995457