(1s 2 2s 1 ) 2 S O 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 7.018085 | .32955610 |
| 2 | 1s | 17.999478 | .00280382 |
| 3 | 2s | 3.182000 | -1.26115661 |
| 4 | 3s | 14.551720 | -.00339837 |
| 5 | 2s | 5.348078 | .24251160 |
| 6 | 4s | 2.245319 | .00036483 |
| ORB.ENERGY,a.u. | -5.071000 | ||
| NORM | 1.000000 | < R > | .894238 | < R2 > | .932660 | < 1/R > | 1.621214 | < 1/R**2 > | 10.610653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.345764 | .73199698 |
| 2 | 1s | 10.640601 | .20433230 |
| 3 | 2s | 7.618647 | .09913364 |
| 4 | 3s | 8.612404 | -.02313975 |
| 5 | 4s | 15.199452 | .00444649 |
| 6 | 5s | 9.103819 | -.00252380 |
| 7 | 5s | 5.137952 | .00073689 |
| ORB.ENERGY,a.u. | -25.648000 |
| NORM | 1.000000 | < R > | .197139 | < R2 > | .052195 | < 1/R > | 7.677563 | < 1/R**2 > | 119.231647 |
Total Energy= -64.17804561 a.u.
Kinetic Energy= 64.17804624 a.u.
Potential Energy= -128.35609184 a.u.
Virial Ratio = -1.99999999