(1s 2 2s 2 2p 3 4d 1 ) 3 D Al 5+
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 | 1.693755 | 1.41692531 |
| 2 | 4d | 1.504788 | -1.92882097 |
| 3 | 3d | 5.976916 | .01992715 |
| 4 | 4d | 4.046916 | .02205459 |
| 5 | 5d | 18.318939 | -.00009829 |
| ORB.ENERGY,a.u. | -1.147000 | ||
| NORM | 1.000000 | < R > | 3.408949 | < R2 > | 13.335398 | < 1/R > | .391614 | < 1/R**2 > | .255290 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.774142 | 1.38390349 |
| 2 | 3p | 6.161221 | -.48529922 |
| 3 | 4p | 7.608502 | .09550952 |
| 4 | 5p | 22.152829 | -.00258907 |
| 5 | 4p | 3.160771 | .01327462 |
| 6 | 4p | 28.829954 | -.00128198 |
| 7 | 5p | 3.151279 | -.00731863 |
| 8 | 3p | 1.889190 | .00132082 |
| 9 | 3p | 40.127694 | -.00011172 |
| ORB.ENERGY,a.u. | -8.430200 | ||
| NORM | 1.000000 | < R > | .510587 | < R2 > | .319106 | < 1/R > | 2.508650 | < 1/R**2 > | 8.650404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.486649 | .37814206 |
| 2 | 2s | 5.346502 | -.84662645 |
| 3 | 3s | 5.018413 | -.28299167 |
| 4 | 4s | 21.255896 | .00226995 |
| 5 | 3s | 12.609249 | .01627024 |
| 6 | 5s | 5.120291 | -.01538281 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569573 | < R2 > | .382160 | < 1/R > | 2.557683 | < 1/R**2 > | 26.705510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169145 | .91994094 |
| 2 | 1s | 18.713832 | .07895323 |
| 3 | 2s | 10.849964 | .01802362 |
| 4 | 3s | 15.236770 | -.01488526 |
| 5 | 4s | 23.766435 | .00309798 |
| 6 | 5s | 41.885815 | .00013762 |
| 7 | 5s | 9.319099 | .00078223 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119822 | < R2 > | .019282 | < 1/R > | 12.617384 | < 1/R**2 > | 321.225387 |
Total Energy= -224.28861778 a.u.
Kinetic Energy= 224.26550824 a.u.
Potential Energy= -448.55412602 a.u.
Virial Ratio = -2.00010305