(1s 2 2s 2 2p 5 ) 2 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 7.252440 | 1.02535493 |
| 2 | 3p | 10.047995 | -.25034616 |
| 3 | 2p | 6.707802 | .17831665 |
| 4 | 4p | 13.772614 | .02213639 |
| 5 | 5p | 7.138155 | .04494533 |
| 6 | 4p | 5.050625 | -.00633497 |
| 7 | 5p | 43.356203 | -.00017325 |
| 8 | 3p | 3.894125 | .00315435 |
| 9 | 3p | 26.843155 | -.00036264 |
| ORB.ENERGY,a.u. | -17.580000 | ||
| NORM | 1.000000 | < R > | .358717 | < R2 > | .157799 | < 1/R > | 3.577459 | < 1/R**2 > | 17.612919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.384480 | .39853193 |
| 2 | 2s | 7.636104 | -.84547283 |
| 3 | 3s | 6.943396 | -.31477096 |
| 4 | 4s | 29.568627 | .00177833 |
| 5 | 3s | 18.425541 | .00726903 |
| 6 | 5s | 8.735245 | .01248791 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .400551 | < R2 > | .188947 | < 1/R > | 3.658731 | < 1/R**2 > | 54.778808 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.112544 | .92125917 |
| 2 | 1s | 24.677892 | .07583314 |
| 3 | 2s | 10.151865 | .02220826 |
| 4 | 3s | 13.701076 | -.02006710 |
| 5 | 4s | 16.418658 | .00928280 |
| 6 | 5s | 44.028315 | .00053378 |
| 7 | 4s | 11.895361 | -.00321054 |
| 8 | 3s | 62.216974 | -.00008939 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085956 | < R2 > | .009918 | < 1/R > | 17.572556 | < 1/R**2 > | 622.191336 |
Total Energy= -490.47943025 a.u.
Kinetic Energy= 490.47944490 a.u.
Potential Energy= -980.95887516 a.u.
Virial Ratio = -1.99999997