(1s 2 2s 2 3d 1 ) 2 D Al 8+
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 | 3.071042 | .95681925 |
| 2 | 3d | 5.069547 | .07412115 |
| 3 | 4d | 6.025098 | -.02301114 |
| 4 | 5d | 18.897247 | -.00041822 |
| 5 | 4d | 2.594931 | .00294924 |
| ORB.ENERGY,a.u. | -4.628400 | ||
| NORM | 1.000000 | < R > | 1.117501 | < R2 > | 1.435348 | < 1/R > | 1.052223 | < 1/R**2 > | 1.343145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.085343 | .37793492 |
| 2 | 2s | 5.107366 | -.78377596 |
| 3 | 3s | 6.749732 | -.29130958 |
| 4 | 5s | 12.905928 | -.02002077 |
| 5 | 4s | 26.615617 | .00218237 |
| 6 | 5s | 5.808629 | -.00238521 |
| 7 | 5s | 40.148432 | -.00033372 |
| 8 | 4s | 3.167259 | .00013104 |
| ORB.ENERGY,a.u. | -13.448000 | ||
| NORM | 1.000000 | < R > | .527219 | < R2 > | .325134 | < 1/R > | 2.776807 | < 1/R**2 > | 31.103345 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.274032 | .94121776 |
| 2 | 1s | 20.026826 | .05738724 |
| 3 | 2s | 12.695351 | .01986620 |
| 4 | 3s | 14.731168 | -.01652751 |
| 5 | 5s | 28.275000 | .00112149 |
| 6 | 4s | 63.140411 | -.00009067 |
| ORB.ENERGY,a.u. | -70.829000 |
| NORM | 1.000000 | < R > | .119022 | < R2 > | .018970 | < 1/R > | 12.671490 | < 1/R**2 > | 323.363445 |
Total Energy= -196.27987276 a.u.
Kinetic Energy= 196.27204507 a.u.
Potential Energy= -392.55191783 a.u.
Virial Ratio = -2.00003988