(1s 2 2s 2 2p 4 3s 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 11.109664 | .12957570 |
| 2 | 2s | 3.833880 | -.54689332 |
| 3 | 3s | 2.210868 | 1.19143678 |
| 4 | 4s | 9.330699 | -.04609437 |
| 5 | 5s | 16.119715 | -.00526087 |
| 6 | 3s | 13.952430 | -.00502751 |
| 7 | 4s | 1.218109 | .00328291 |
| 8 | 5s | 1.191391 | -.00151925 |
| ORB.ENERGY,a.u. | -2.207800 | ||
| NORM | 1.000000 | < R > | 1.730347 | < R2 > | 3.400814 | < 1/R > | .803374 | < 1/R**2 > | 3.894923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.110495 | 1.26895895 |
| 2 | 2p | 9.970852 | .06845698 |
| 3 | 3p | 4.842800 | -.34216981 |
| 4 | 4p | 11.487233 | .01454444 |
| 5 | 5p | 31.077950 | -.00015339 |
| 6 | 5p | 3.266358 | .01174961 |
| 7 | 4p | 2.924286 | -.01169877 |
| ORB.ENERGY,a.u. | -6.237900 | ||
| NORM | 1.000000 | < R > | .539749 | < R2 > | .360109 | < 1/R > | 2.398489 | < 1/R**2 > | 7.996166 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.578563 | .31550025 |
| 2 | 2s | 4.225400 | -.84522229 |
| 3 | 3s | 7.081812 | -.21399368 |
| 4 | 4s | 2.800770 | -.03214818 |
| 5 | 5s | 14.869874 | -.01270033 |
| 6 | 4s | 50.375049 | -.00045701 |
| 7 | 3s | 2.671078 | .03238449 |
| 8 | 4s | .711317 | -.00200792 |
| 9 | 3s | 36.025145 | .00070586 |
| 10 | 4s | 102.447709 | -.00003438 |
| 11 | 5s | .827292 | .00187285 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .589177 | < R2 > | .411934 | < 1/R > | 2.475049 | < 1/R**2 > | 25.142485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.251933 | .92098464 |
| 2 | 1s | 18.177478 | .07628123 |
| 3 | 2s | 4.405863 | .04004791 |
| 4 | 3s | 4.886227 | -.05362152 |
| 5 | 4s | 5.425469 | .02175661 |
| 6 | 5s | 31.879526 | .00086122 |
| 7 | 4s | 69.601803 | -.00004124 |
| 8 | 5s | 2.879729 | .00038122 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .119994 | < R2 > | .019351 | < 1/R > | 12.606028 | < 1/R**2 > | 320.778210 |
Total Energy= -232.23168999 a.u.
Kinetic Energy= 232.25171959 a.u.
Potential Energy= -464.48340958 a.u.
Virial Ratio = -1.99991376