(1s 2 4s 1 ) 2 S O 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 6.220772 | .13766315 |
| 2 | 2s | 1.801056 | -1.49852569 |
| 3 | 3s | 1.538945 | 4.91876668 |
| 4 | 4s | 1.540411 | -4.38500586 |
| 5 | 5s | 2.470645 | .27368505 |
| 6 | 4s | 4.650925 | -.09893276 |
| 7 | 4s | 11.994695 | .00407775 |
| 8 | 5s | 32.113431 | .00011358 |
| ORB.ENERGY,a.u. | -1.190100 | ||
| NORM | 1.000001 | < R > | 3.785936 | < R2 > | 16.124935 | < 1/R > | .388716 | < 1/R**2 > | 1.210400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.364422 | .73004003 |
| 2 | 1s | 10.607565 | .20552488 |
| 3 | 2s | 7.654617 | .09850901 |
| 4 | 3s | 8.202785 | -.02371666 |
| 5 | 4s | 14.460289 | .00453310 |
| 6 | 5s | 60.984655 | -.00001838 |
| 7 | 5s | 7.987707 | -.00052091 |
| ORB.ENERGY,a.u. | -26.737000 |
| NORM | 1.000000 | < R > | .196790 | < R2 > | .051965 | < 1/R > | 7.686580 | < 1/R**2 > | 119.459808 |
Total Energy= -60.30066583 a.u.
Kinetic Energy= 60.30065981 a.u.
Potential Energy= -120.60132564 a.u.
Virial Ratio = -2.00000010