(1s 2 2s 2 2p 6 ) 1 S Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 3.732316 | 1.29703233 |
| 2 | 3p | 4.590209 | -.39110558 |
| 3 | 2p | 9.394336 | .08803121 |
| 4 | 4p | 10.549961 | .01777346 |
| 5 | 5p | 3.499399 | .01386168 |
| 6 | 5p | 16.754596 | .00136185 |
| ORB.ENERGY,a.u. | -4.356900 | ||
| NORM | 1.000000 | < R > | .596026 | < R2 > | .446866 | < 1/R > | 2.215964 | < 1/R**2 > | 6.971502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.702886 | .33686372 |
| 2 | 2s | 5.058981 | -.81575986 |
| 3 | 3s | 4.101788 | -.31820520 |
| 4 | 4s | 17.310789 | .00674901 |
| 5 | 3s | 17.603530 | .00357179 |
| 6 | 5s | 2.732276 | -.00824103 |
| 7 | 5s | 37.232149 | .00017404 |
| 8 | 3s | 2.124636 | .01184062 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .619380 | < R2 > | .457608 | < 1/R > | 2.350506 | < 1/R**2 > | 22.819954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.192296 | .91396350 |
| 2 | 1s | 18.098551 | .08374305 |
| 3 | 2s | 6.589804 | .02051398 |
| 4 | 3s | 8.390709 | -.02182277 |
| 5 | 4s | 10.881053 | .01136325 |
| 6 | 5s | 30.892134 | .00081194 |
| 7 | 4s | 67.335641 | -.00005279 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .120257 | < R2 > | .019458 | < 1/R > | 12.589428 | < 1/R**2 > | 320.138570 |
Total Energy= -240.00034659 a.u.
Kinetic Energy= 240.00035424 a.u.
Potential Energy= -480.00070083 a.u.
Virial Ratio = -1.99999997