(1s 2 2s 2 2p 6 3s 1 4s 1 ) 3 S Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 11.591687 | .03269414 |
| 2 | 2s | 3.535998 | -.14064513 |
| 3 | 3s | 1.663168 | .35435883 |
| 4 | 4s | .889689 | -1.29220628 |
| 5 | 5s | 10.022061 | -.01248748 |
| 6 | 4s | 12.734588 | -.01099437 |
| 7 | 3s | 18.346676 | -.00101509 |
| 8 | 5s | .773688 | -.26197653 |
| 9 | 2s | .598676 | .52984071 |
| ORB.ENERGY,a.u. | -.267900 | ||
| NORM | 1.000000 | < R > | 5.776521 | < R2 > | 37.168383 | < 1/R > | .221077 | < 1/R**2 > | .313351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .602009 | 1.08780446 |
| 2 | 1s | 14.491551 | .05069521 |
| 3 | 2s | 3.528138 | -.50766357 |
| 4 | 3s | .858010 | -.42277169 |
| 5 | 4s | 2.047790 | .43655329 |
| 6 | 5s | 9.924822 | -.04066081 |
| 7 | 4s | 12.567326 | -.04172313 |
| 8 | 2s | 19.479816 | .00487005 |
| 9 | 5s | .719192 | -.01592107 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.230009 | < R2 > | 5.667843 | < 1/R > | .592187 | < 1/R**2 > | 1.947273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.188000 | .52669133 |
| 2 | 3p | 4.989547 | .39091425 |
| 3 | 4p | 4.319608 | .16772022 |
| 4 | 5p | 3.637704 | .03166502 |
| 5 | 2p | 13.545150 | .01232364 |
| 6 | 5p | 10.669206 | -.01027257 |
| 7 | 4p | 52.659229 | .00001906 |
| 8 | 3p | 1.985733 | .00158060 |
| 9 | 5p | 1.123796 | -.00009000 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .598999 | < R2 > | .452373 | < 1/R > | 2.208730 | < 1/R**2 > | 6.934336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.690021 | .33737610 |
| 2 | 2s | 5.118127 | -.79677725 |
| 3 | 3s | 4.185250 | -.33026949 |
| 4 | 4s | 17.098337 | .00822269 |
| 5 | 3s | 19.482437 | .00272466 |
| 6 | 2s | .941618 | -.02052266 |
| 7 | 5s | 34.124826 | .00027407 |
| 8 | 4s | 1.224467 | .04083836 |
| 9 | 5s | 1.388728 | -.02528552 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .619938 | < R2 > | .458806 | < 1/R > | 2.349490 | < 1/R**2 > | 22.806934 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586555 | 1.01574469 |
| 2 | 2s | 17.928368 | -.02458948 |
| 3 | 3s | 8.784337 | .02362132 |
| 4 | 4s | 40.976097 | -.00021278 |
| 5 | 4s | 29.568690 | .00036482 |
| 6 | 2s | 64.477903 | .00003080 |
| 7 | 5s | 10.829816 | -.00903826 |
| 8 | 3s | 4.460438 | .00029061 |
| 9 | 2s | 118.281373 | -.00000029 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120255 | < R2 > | .019458 | < 1/R > | 12.589469 | < 1/R**2 > | 320.138412 |
Total Energy= -241.29295915 a.u.
Kinetic Energy= 241.29832135 a.u.
Potential Energy= -482.59128050 a.u.
Virial Ratio = -1.99997778