(1s 1 3d 1 ) 3 D He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | .333453 | .99977000 |
| 2 | 4d | 1.109583 | .00045367 |
| 3 | 3d | 2.120414 | .00045358 |
| ORB.ENERGY,a.u. | -.055679 | ||
| NORM | 1.000000 | < R > | 10.493779 | < R2 > | 125.865929 | < 1/R > | .111208 | < 1/R**2 > | .014851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.944532 | .75431816 |
| 2 | 1s | 2.095039 | .25820525 |
| 3 | 2s | 1.913256 | -.01331951 |
| 4 | 3s | 2.178592 | -.00130127 |
| 5 | 4s | 3.957075 | .00008664 |
| ORB.ENERGY,a.u. | -1.833500 |
| NORM | 1.000000 | < R > | .750030 | < R2 > | .750082 | < 1/R > | 1.999960 | < 1/R**2 > | 7.999768 |
Total Energy= -2.05647244 a.u.
Kinetic Energy= 2.05557202 a.u.
Potential Energy= -4.11204446 a.u.
Virial Ratio = -2.00043804