(1s 2 3d 1 ) 2 D Al 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3.668190 | .99959712 |
| 2 | 3d | 9.987926 | .00211781 |
| 3 | 4d | 12.739576 | -.00125504 |
| ORB.ENERGY,a.u. | -6.727100 | ||
| NORM | 1.000000 | < R > | .953819 | < R2 > | 1.039895 | < 1/R > | 1.223510 | < 1/R**2 > | 1.797456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434508 | .93859668 |
| 2 | 1s | 20.356589 | .04921227 |
| 3 | 2s | 16.041383 | .01678214 |
| 4 | 3s | 12.338915 | .00165159 |
| 5 | 4s | 40.022302 | -.00112062 |
| 6 | 5s | 48.146632 | .00043388 |
| 7 | 3s | 69.748012 | -.00005081 |
| ORB.ENERGY,a.u. | -75.344000 |
| NORM | 1.000000 | < R > | .118828 | < R2 > | .018899 | < 1/R > | 12.687041 | < 1/R**2 > | 324.040028 |
Total Energy= -167.72035574 a.u.
Kinetic Energy= 167.71105849 a.u.
Potential Energy= -335.43141422 a.u.
Virial Ratio = -2.00005544