(1s 2 2s 1 5d 1 ) 1 D Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.997112 | 3.51749369 |
| 2 | 4d | 3.002142 | -8.81556134 |
| 3 | 5d | 3.003912 | 5.97205326 |
| 4 | 3d | 11.873863 | .00528802 |
| 5 | 5d | 2.930761 | .01177859 |
| 6 | 5d | 33.821337 | -.00016638 |
| 7 | 4d | 6.867249 | .00783529 |
| 8 | 4d | 59.229967 | -.00001341 |
| ORB.ENERGY,a.u. | -4.510700 | ||
| NORM | 1.000000 | < R > | 2.293549 | < R2 > | 5.970874 | < 1/R > | .604266 | < 1/R**2 > | .737970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.592446 | .44054229 |
| 2 | 2s | 7.917914 | -.82046350 |
| 3 | 3s | 9.475597 | -.30533839 |
| 4 | 5s | 16.266088 | -.01851584 |
| 5 | 4s | 31.902744 | .00461446 |
| 6 | 5s | 42.332106 | -.00108021 |
| 7 | 4s | 107.453018 | .00001515 |
| ORB.ENERGY,a.u. | -33.133000 | ||
| NORM | 1.000000 | < R > | .358678 | < R2 > | .150052 | < 1/R > | 4.125086 | < 1/R**2 > | 68.518507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.363179 | .93831394 |
| 2 | 1s | 27.346905 | .04905732 |
| 3 | 2s | 21.996555 | .01685572 |
| 4 | 3s | 11.921739 | .00104826 |
| 5 | 4s | 72.856737 | -.00039083 |
| 6 | 5s | 97.618050 | .00014304 |
| 7 | 5s | 8.163267 | .00005598 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085204 | < R2 > | .009711 | < 1/R > | 17.674306 | < 1/R**2 > | 627.865088 |
Total Energy= -351.04526767 a.u.
Kinetic Energy= 350.95468691 a.u.
Potential Energy= -701.99995458 a.u.
Virial Ratio = -2.00025810