(1s 1 3s 1 ) 3 S Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 10.473631 | .40893543 |
| 2 | 2s | 5.773827 | -2.25654139 |
| 3 | 3s | 5.694578 | 2.68994033 |
| 4 | 4s | 9.149297 | -.10529543 |
| 5 | 5s | 16.117693 | -.00857281 |
| 6 | 4s | 54.714724 | -.00003381 |
| 7 | 5s | 3.776666 | -.00025249 |
| ORB.ENERGY,a.u. | -17.112000 | ||
| NORM | 1.000000 | < R > | .780581 | < R2 > | .691876 | < 1/R > | 1.904847 | < 1/R**2 > | 21.607468 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.776258 | .88939719 |
| 2 | 1s | 20.425115 | .10526702 |
| 3 | 2s | 18.199995 | .01061853 |
| 4 | 3s | 18.789518 | -.00513225 |
| 5 | 4s | 49.185917 | .00001773 |
| 6 | 5s | 23.403328 | .00032446 |
| ORB.ENERGY,a.u. | -161.110000 |
| NORM | 1.000000 | < R > | .083330 | < R2 > | .009259 | < 1/R > | 18.001424 | < 1/R**2 > | 648.105368 |
Total Energy= -178.29760507 a.u.
Kinetic Energy= 178.34499350 a.u.
Potential Energy= -356.64259857 a.u.
Virial Ratio = -1.99973429