(1s 2 2s 1 4s 1 ) 3 S F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 7.295900 | .11656507 |
| 2 | 2s | 1.793128 | -1.57500201 |
| 3 | 3s | 1.664090 | 4.39549073 |
| 4 | 4s | 1.606818 | -3.65323199 |
| 5 | 5s | 3.086237 | .17164632 |
| 6 | 4s | 6.167821 | -.05483347 |
| 7 | 5s | 20.262907 | .00051172 |
| ORB.ENERGY,a.u. | -1.262000 | ||
| NORM | 1.000003 | < R > | 3.583308 | < R2 > | 14.412006 | < 1/R > | .401123 | < 1/R**2 > | 1.256357 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.440079 | .38460583 |
| 2 | 2s | 3.586093 | -.86678285 |
| 3 | 3s | 4.369736 | -.24207947 |
| 4 | 4s | 10.567391 | .02986093 |
| 5 | 3s | 12.129902 | .00766658 |
| 6 | 5s | 12.779605 | -.00850352 |
| 7 | 5s | 7.650784 | -.01486294 |
| ORB.ENERGY,a.u. | -6.453800 | ||
| NORM | 1.000000 | < R > | .777566 | < R2 > | .705348 | < 1/R > | 1.873896 | < 1/R**2 > | 14.187563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.162590 | .86689957 |
| 2 | 1s | 12.253646 | .13421399 |
| 3 | 2s | 6.477660 | .02912639 |
| 4 | 3s | 8.104824 | -.02968727 |
| 5 | 4s | 17.300063 | .00279760 |
| 6 | 5s | 11.921047 | .00074650 |
| 7 | 3s | 24.471954 | -.00022489 |
| 8 | 5s | 1.339924 | .00023083 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174290 | < R2 > | .040768 | < 1/R > | 8.675803 | < 1/R**2 > | 152.063979 |
Total Energy= -83.53350145 a.u.
Kinetic Energy= 83.54068279 a.u.
Potential Energy= -167.07418423 a.u.
Virial Ratio = -1.99991404