(1s 2 3d 1 ) 2 D Ar 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 5.335083 | .99966121 |
| 2 | 3d | 14.098727 | .00167998 |
| 3 | 4d | 17.968851 | -.00098310 |
| ORB.ENERGY,a.u. | -14.237000 | ||
| NORM | 1.000000 | < R > | .655848 | < R2 > | .491645 | < 1/R > | 1.779276 | < 1/R**2 > | 3.800763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.380006 | .93923897 |
| 2 | 1s | 27.419150 | .04807449 |
| 3 | 2s | 22.004087 | .01737128 |
| 4 | 3s | 14.295065 | .00023506 |
| 5 | 4s | 59.518090 | -.00061960 |
| 6 | 5s | 73.159965 | .00020922 |
| 7 | 3s | 100.194570 | -.00002678 |
| ORB.ENERGY,a.u. | -149.580000 |
| NORM | 1.000000 | < R > | .085114 | < R2 > | .009686 | < 1/R > | 17.686949 | < 1/R**2 > | 628.602018 |
Total Energy= -327.10150302 a.u.
Kinetic Energy= 327.08798154 a.u.
Potential Energy= -654.18948456 a.u.
Virial Ratio = -2.00004134