(1s 1 5s 1 ) 1 S Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.390146 | 1.21028728 |
| 2 | 2s | 2.925610 | -3.15855618 |
| 3 | 3s | 2.499315 | 7.89013692 |
| 4 | 4s | 2.077645 | -19.07010474 |
| 5 | 5s | 2.179769 | 13.79836316 |
| 6 | 2s | 7.753654 | .05999646 |
| 7 | 5s | 14.380257 | -.00330461 |
| 8 | 2s | 17.745434 | -.00023964 |
| ORB.ENERGY,a.u. | -2.589300 | ||
| NORM | .999993 | < R > | 3.366927 | < R2 > | 12.702901 | < 1/R > | .417811 | < 1/R**2 > | .888199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.004266 | 1.00164822 |
| 2 | 2s | 1.027148 | .27713497 |
| 3 | 3s | 5.261899 | -.05534300 |
| 4 | 4s | 6.593762 | .02039133 |
| 5 | 5s | 2.829083 | -.18144865 |
| 6 | 4s | 1.252180 | -.10078247 |
| 7 | 5s | 21.960969 | -.00007577 |
| ORB.ENERGY,a.u. | -71.709000 |
| NORM | 1.000000 | < R > | .127611 | < R2 > | .033011 | < 1/R > | 12.024803 | < 1/R**2 > | 289.068003 |
Total Energy= -74.45597722 a.u.
Kinetic Energy= 74.44840622 a.u.
Potential Energy= -148.90438344 a.u.
Virial Ratio = -2.00010169