(1s 1 5d 1 ) 3 D Ne 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 1.799442 | 3.55236901 |
| 2 | 4d | 1.800199 | -8.86397724 |
| 3 | 5d | 1.800642 | 6.00628332 |
| 4 | 3d | 10.365647 | .00043138 |
| 5 | 5d | 7.497193 | .00056735 |
| ORB.ENERGY,a.u. | -1.687500 | ||
| NORM | .999997 | < R > | 3.831417 | < R2 > | 16.650986 | < 1/R > | .360338 | < 1/R**2 > | .260087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.842765 | .75704601 |
| 2 | 1s | 10.102123 | .25677485 |
| 3 | 2s | 9.918084 | -.01583348 |
| 4 | 3s | 11.514407 | -.00011701 |
| ORB.ENERGY,a.u. | -49.688000 |
| NORM | 1.000000 | < R > | .150006 | < R2 > | .030003 | < 1/R > | 9.999759 | < 1/R**2 > | 199.992851 |
Total Energy= -51.62482487 a.u.
Kinetic Energy= 51.62064366 a.u.
Potential Energy= -103.24546853 a.u.
Virial Ratio = -2.00008100