(1s 2 2s 2 2p 2 4p 1 ) 4 S Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 5.896181 | .19668674 |
| 2 | 3p | 1.450092 | -.51095030 |
| 3 | 5p | 2.033426 | 1.45618661 |
| 4 | 4p | 3.052196 | -.73340587 |
| 5 | 4p | 64.137941 | -.00004680 |
| 6 | 5p | 7.457351 | .03134471 |
| 7 | 4p | 17.389620 | -.00279173 |
| 8 | 5p | 1.684381 | .23506155 |
| 9 | 5p | 40.575264 | -.00025837 |
| ORB.ENERGY,a.u. | -1.723400 | ||
| NORM | 1.000001 | < R > | 2.927568 | < R2 > | 9.672242 | < 1/R > | .461586 | < 1/R**2 > | .531047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.057574 | 1.26451285 |
| 2 | 3p | 6.753241 | -.28405103 |
| 3 | 5p | 2.134547 | .08086773 |
| 4 | 4p | 2.036922 | -.06322132 |
| 5 | 5p | 10.269496 | .02256796 |
| 6 | 4p | 21.094769 | -.00372943 |
| 7 | 5p | 45.073161 | -.00006344 |
| 8 | 3p | 1.177117 | .00334667 |
| 9 | 3p | 30.360754 | -.00041897 |
| ORB.ENERGY,a.u. | -9.968500 | ||
| NORM | 1.000000 | < R > | .489167 | < R2 > | .296382 | < 1/R > | 2.606270 | < 1/R**2 > | 9.260738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.508912 | .38800887 |
| 2 | 2s | 5.416858 | -.83561074 |
| 3 | 3s | 5.652390 | -.27288175 |
| 4 | 4s | 21.525411 | .00243298 |
| 5 | 3s | 12.454397 | .01706970 |
| 6 | 5s | 5.607911 | -.03978087 |
| 7 | 4s | 1.508037 | .00014110 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554136 | < R2 > | .360596 | < 1/R > | 2.632214 | < 1/R**2 > | 28.171138 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.158484 | .91999159 |
| 2 | 1s | 18.808707 | .07950100 |
| 3 | 2s | 11.272643 | .01920537 |
| 4 | 3s | 14.402912 | -.01548678 |
| 5 | 5s | 30.689242 | .00111233 |
| 6 | 4s | 73.235579 | -.00003940 |
| 7 | 5s | 9.900266 | .00055745 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119610 | < R2 > | .019198 | < 1/R > | 12.631376 | < 1/R**2 > | 321.773898 |
Total Energy= -215.96002510 a.u.
Kinetic Energy= 215.95313263 a.u.
Potential Energy= -431.91315774 a.u.
Virial Ratio = -2.00003192