(1s 2 2s 2 2p 1 4d 1 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 2.404984 | 1.18499705 |
| 2 | 4d | 1.976754 | -1.69870492 |
| 3 | 3d | 5.431892 | .03423971 |
| 4 | 4d | 18.314371 | .00040051 |
| 5 | 5d | 1.632960 | .03267590 |
| 6 | 3d | 1.169955 | -.01726485 |
| 7 | 5d | 11.916524 | .00219571 |
| 8 | 3d | 24.812401 | .00005405 |
| ORB.ENERGY,a.u. | -2.050900 | ||
| NORM | 1.000001 | < R > | 2.542333 | < R2 > | 7.409190 | < 1/R > | .523596 | < 1/R**2 > | .454097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.162048 | 1.08957105 |
| 2 | 3p | 6.472722 | -.10951789 |
| 3 | 2p | 12.245665 | .01903995 |
| 4 | 5p | 14.513428 | .00466400 |
| 5 | 4p | 28.683850 | -.00033711 |
| 6 | 5p | 4.671653 | .00687392 |
| 7 | 5p | 96.356019 | -.00000457 |
| 8 | 4p | 3.590680 | -.00395437 |
| ORB.ENERGY,a.u. | -11.597000 | ||
| NORM | 1.000000 | < R > | .472958 | < R2 > | .271279 | < 1/R > | 2.679231 | < 1/R**2 > | 9.745708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.339759 | .35635513 |
| 2 | 2s | 4.733968 | -.80179540 |
| 3 | 3s | 7.012277 | -.27839139 |
| 4 | 4s | 24.557116 | .00141634 |
| 5 | 5s | 13.740518 | -.01308323 |
| 6 | 5s | 5.256255 | .01835926 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539263 | < R2 > | .340613 | < 1/R > | 2.709335 | < 1/R**2 > | 29.719970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175508 | .92360918 |
| 2 | 1s | 18.810152 | .07735275 |
| 3 | 2s | 11.023572 | .01795116 |
| 4 | 3s | 13.755741 | -.01642980 |
| 5 | 4s | 68.399804 | -.00005577 |
| 6 | 5s | 30.178035 | .00102800 |
| 7 | 5s | 7.843498 | .00009309 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119327 | < R2 > | .019088 | < 1/R > | 12.650567 | < 1/R**2 > | 322.532482 |
Total Energy= -205.83190256 a.u.
Kinetic Energy= 205.82065028 a.u.
Potential Energy= -411.65255284 a.u.
Virial Ratio = -2.00005467