(1s 1 4d 1 ) 3 D Al 11+
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 | 3.149945 | 1.79149505 |
| 2 | 4d | 2.990102 | -2.29610106 |
| 3 | 3d | 11.667255 | .00069449 |
| 4 | 4d | 2.398706 | .00264981 |
| 5 | 5d | 18.104107 | -.00020110 |
| ORB.ENERGY,a.u. | -4.693600 | ||
| NORM | 1.000001 | < R > | 1.749120 | < R2 > | 3.496786 | < 1/R > | .750659 | < 1/R**2 > | .902433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.749855 | .88933699 |
| 2 | 1s | 15.406235 | .10555411 |
| 3 | 2s | 14.848915 | .01066887 |
| 4 | 3s | 13.578203 | -.00521849 |
| 5 | 4s | 21.618290 | .00002861 |
| 6 | 5s | 13.160827 | .00001070 |
| ORB.ENERGY,a.u. | -83.912000 |
| NORM | 1.000000 | < R > | .115392 | < R2 > | .017755 | < 1/R > | 12.999524 | < 1/R**2 > | 337.981605 |
Total Energy= -89.01151419 a.u.
Kinetic Energy= 89.00169056 a.u.
Potential Energy= -178.01320475 a.u.
Virial Ratio = -2.00011038