(1s 2 2s 2 2p 1 3d 1 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 2.821406 | .91928672 |
| 2 | 3d | 5.804832 | .04317722 |
| 3 | 4d | 2.395623 | .07151334 |
| 4 | 5d | 18.426477 | -.00020697 |
| 5 | 5d | 2.150075 | -.01644191 |
| 6 | 4d | 39.397586 | .00001167 |
| 7 | 4d | 1.566437 | .00375328 |
| ORB.ENERGY,a.u. | -3.664100 | ||
| NORM | 1.000000 | < R > | 1.243833 | < R2 > | 1.783324 | < 1/R > | .949479 | < 1/R**2 > | 1.100827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.160446 | 1.08635027 |
| 2 | 3p | 6.433210 | -.11232423 |
| 3 | 2p | 11.783893 | .02092537 |
| 4 | 5p | 13.276695 | .00450478 |
| 5 | 4p | 25.727164 | -.00088808 |
| 6 | 5p | 5.068132 | .01117457 |
| 7 | 5p | 78.391868 | -.00002080 |
| ORB.ENERGY,a.u. | -11.169000 | ||
| NORM | 1.000000 | < R > | .475052 | < R2 > | .274219 | < 1/R > | 2.671581 | < 1/R**2 > | 9.701569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.353291 | .35469946 |
| 2 | 2s | 4.717887 | -.79990429 |
| 3 | 3s | 7.034923 | -.27736113 |
| 4 | 4s | 24.639589 | .00136219 |
| 5 | 5s | 13.743949 | -.01323230 |
| 6 | 5s | 5.340233 | .01463274 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .540993 | < R2 > | .343112 | < 1/R > | 2.701330 | < 1/R**2 > | 29.561217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175504 | .92363608 |
| 2 | 1s | 18.808821 | .07735332 |
| 3 | 2s | 11.028393 | .01788411 |
| 4 | 3s | 13.764065 | -.01640803 |
| 5 | 4s | 68.784185 | -.00005480 |
| 6 | 5s | 30.167527 | .00104107 |
| 7 | 5s | 7.814169 | .00010402 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119325 | < R2 > | .019087 | < 1/R > | 12.650701 | < 1/R**2 > | 322.538371 |
Total Energy= -207.46470915 a.u.
Kinetic Energy= 207.43398068 a.u.
Potential Energy= -414.89868983 a.u.
Virial Ratio = -2.00014814