(1s 2 2s 2 5d 1 ) 2 D Ar 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 3.106375 | 2.35927873 |
| 2 | 4d | 2.780182 | -7.83057659 |
| 3 | 5d | 2.826533 | 6.18545245 |
| 4 | 3d | 6.628515 | .04991264 |
| 5 | 5d | 10.405595 | -.00939071 |
| 6 | 4d | 41.737530 | .00014137 |
| 7 | 5d | 2.421019 | .03085055 |
| 8 | 5d | 56.469765 | -.00006476 |
| ORB.ENERGY,a.u. | -3.972300 | ||
| NORM | .999999 | < R > | 2.429852 | < R2 > | 6.699552 | < 1/R > | .570631 | < 1/R**2 > | .663685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.946040 | .41541719 |
| 2 | 2s | 7.511158 | -.82048380 |
| 3 | 3s | 9.631941 | -.29068393 |
| 4 | 5s | 18.078421 | -.01398347 |
| 5 | 4s | 36.297163 | .00175755 |
| 6 | 5s | 54.816166 | -.00024218 |
| 7 | 5s | 8.166715 | .00519046 |
| ORB.ENERGY,a.u. | -30.669000 | ||
| NORM | 1.000000 | < R > | .364801 | < R2 > | .155385 | < 1/R > | 4.041121 | < 1/R**2 > | 65.741024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.082644 | .93406113 |
| 2 | 1s | 26.763912 | .06451053 |
| 3 | 2s | 18.871916 | .01964133 |
| 4 | 3s | 20.471886 | -.01683883 |
| 5 | 5s | 41.400677 | .00082453 |
| 6 | 4s | 93.645657 | -.00004576 |
| 7 | 5s | 20.269353 | -.00046202 |
| ORB.ENERGY,a.u. | -144.100000 |
| NORM | 1.000000 | < R > | .085222 | < R2 > | .009714 | < 1/R > | 17.670070 | < 1/R**2 > | 627.577372 |
Total Energy= -381.50979662 a.u.
Kinetic Energy= 381.50605711 a.u.
Potential Energy= -763.01585373 a.u.
Virial Ratio = -2.00000980