(1s 1 3d 1 ) 3 D O 6+
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 | 2.374211 | .94268316 |
| 2 | 3d | 8.701109 | .00069126 |
| 3 | 4d | 2.350978 | .06080941 |
| 4 | 5d | 6.732423 | .00044652 |
| ORB.ENERGY,a.u. | -2.751200 | ||
| NORM | 1.000000 | < R > | 1.498582 | < R2 > | 2.567069 | < 1/R > | .778793 | < 1/R**2 > | .728341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.867908 | .75740353 |
| 2 | 1s | 8.102171 | .25627831 |
| 3 | 2s | 7.983933 | -.01541603 |
| 4 | 3s | 8.191541 | -.00045758 |
| 5 | 4s | 5.929926 | .00018161 |
| ORB.ENERGY,a.u. | -31.196000 |
| NORM | 1.000000 | < R > | .187531 | < R2 > | .046896 | < 1/R > | 7.999284 | < 1/R**2 > | 127.983119 |
Total Energy= -34.73375405 a.u.
Kinetic Energy= 34.72361866 a.u.
Potential Energy= -69.45737271 a.u.
Virial Ratio = -2.00029189