(1s 2 2s 1 4d 1 ) 3 D Mg 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 | 2.598241 | 1.33809758 |
| 2 | 4d | 2.233241 | -1.83782857 |
| 3 | 5d | 1.795142 | .00640269 |
| 4 | 3d | 5.901419 | .01807351 |
| 5 | 4d | 11.276985 | -.00145064 |
| ORB.ENERGY,a.u. | -2.571900 | ||
| NORM | 1.000000 | < R > | 2.291978 | < R2 > | 6.006885 | < 1/R > | .574938 | < 1/R**2 > | .535510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.917883 | .40533914 |
| 2 | 2s | 5.068595 | -.78972920 |
| 3 | 3s | 5.910266 | -.30558832 |
| 4 | 5s | 10.363147 | -.02747389 |
| 5 | 4s | 20.217412 | .00926460 |
| 6 | 5s | 25.942774 | -.00233895 |
| 7 | 4s | 2.184142 | .00013271 |
| 8 | 3s | 40.886921 | .00012658 |
| ORB.ENERGY,a.u. | -12.945000 | ||
| NORM | 1.000000 | < R > | .560500 | < R2 > | .366399 | < 1/R > | 2.618420 | < 1/R**2 > | 27.659491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426821 | .93812978 |
| 2 | 1s | 18.647707 | .05146946 |
| 3 | 2s | 14.324662 | .01477885 |
| 4 | 3s | 9.112165 | .00216547 |
| 5 | 4s | 46.501465 | -.00063490 |
| 6 | 5s | 61.480903 | .00023696 |
| 7 | 5s | 6.470778 | .00020436 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129236 | < R2 > | .022376 | < 1/R > | 11.675787 | < 1/R**2 > | 274.692183 |
Total Energy= -152.73407012 a.u.
Kinetic Energy= 152.65607773 a.u.
Potential Energy= -305.39014785 a.u.
Virial Ratio = -2.00051090