(1s 1 4d 1 ) 3 D Ne 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 2.664593 | 1.24122518 |
| 2 | 4d | 2.206889 | -1.81483067 |
| 3 | 5d | 3.258478 | .11932358 |
| 4 | 4d | 7.239133 | -.00470421 |
| 5 | 5d | 1.563157 | .00196319 |
| 6 | 5d | 18.013534 | -.00009060 |
| 7 | 3d | 28.058332 | -.00000230 |
| ORB.ENERGY,a.u. | -2.599500 | ||
| NORM | 1.000000 | < R > | 2.331904 | < R2 > | 6.215270 | < 1/R > | .563103 | < 1/R**2 > | .507930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.843009 | .75700594 |
| 2 | 1s | 10.102370 | .25676118 |
| 3 | 2s | 9.908760 | -.01583011 |
| 4 | 3s | 9.634530 | -.00013336 |
| 5 | 4s | 8.787605 | .00011972 |
| ORB.ENERGY,a.u. | -49.474000 |
| NORM | 1.000000 | < R > | .150012 | < R2 > | .030006 | < 1/R > | 9.999568 | < 1/R**2 > | 199.987165 |
Total Energy= -52.53943979 a.u.
Kinetic Energy= 52.53237031 a.u.
Potential Energy= -105.07181010 a.u.
Virial Ratio = -2.00013457