(1s 2 2s 2 2p 6 3s 1 3p 1 ) 1 P Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 3.366050 | .17092572 |
| 2 | 2p | .872302 | -.61093988 |
| 3 | 3p | .810777 | -.52869350 |
| 4 | 2p | 6.893631 | .05802246 |
| 5 | 3p | 10.616597 | -.00354042 |
| 6 | 5p | .916939 | .14866745 |
| 7 | 4p | .556680 | -.12535840 |
| 8 | 4p | 26.113277 | -.00009461 |
| 9 | 5p | .609158 | .09176738 |
| ORB.ENERGY,a.u. | -.372800 | ||
| NORM | 1.000000 | < R > | 3.404844 | < R2 > | 13.544012 | < 1/R > | .377161 | < 1/R**2 > | .303866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.136838 | -.15901090 |
| 2 | 1s | 4.570110 | .27720695 |
| 3 | 1s | 15.598578 | .01165387 |
| 4 | 2s | 5.698410 | -.41729729 |
| 5 | 3s | 1.462313 | .84135605 |
| 6 | 4s | 2.516083 | .33788026 |
| 7 | 5s | 6.414921 | -.05260928 |
| 8 | 4s | 2.458499 | -.02217191 |
| 9 | 3s | 33.489890 | -.00005898 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.284247 | < R2 > | 5.972390 | < 1/R > | .579318 | < 1/R**2 > | 1.867801 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.190302 | .52614579 |
| 2 | 3p | 4.987699 | .39148936 |
| 3 | 4p | 4.317840 | .16803267 |
| 4 | 5p | 3.618812 | .03178704 |
| 5 | 2p | 13.544352 | .01229787 |
| 6 | 5p | 10.666926 | -.01017111 |
| 7 | 4p | 52.916034 | .00001877 |
| 8 | 3p | 1.483228 | .00189882 |
| 9 | 5p | 1.086660 | .00031311 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .599395 | < R2 > | .453200 | < 1/R > | 2.207868 | < 1/R**2 > | 6.930026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.692708 | .33698266 |
| 2 | 2s | 5.114954 | -.79634356 |
| 3 | 3s | 4.182995 | -.32986932 |
| 4 | 4s | 17.170417 | .00820174 |
| 5 | 3s | 19.564263 | .00264397 |
| 6 | 2s | .872959 | -.02638011 |
| 7 | 5s | 34.633913 | .00025680 |
| 8 | 4s | 1.204166 | .05050251 |
| 9 | 5s | 1.376958 | -.03013464 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .620531 | < R2 > | .459870 | < 1/R > | 2.347574 | < 1/R**2 > | 22.773453 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586305 | 1.01575688 |
| 2 | 2s | 17.927339 | -.02461013 |
| 3 | 3s | 8.781713 | .02363316 |
| 4 | 4s | 40.861102 | -.00021404 |
| 5 | 4s | 29.527338 | .00036544 |
| 6 | 2s | 64.104029 | .00003084 |
| 7 | 5s | 10.817665 | -.00906063 |
| 8 | 3s | 4.665952 | .00031827 |
| 9 | 2s | 168.121193 | -.00000010 |
| 10 | 4s | 1.706282 | -.00003479 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120260 | < R2 > | .019459 | < 1/R > | 12.589195 | < 1/R**2 > | 320.128000 |
Total Energy= -241.49187564 a.u.
Kinetic Energy= 241.40350109 a.u.
Potential Energy= -482.89537673 a.u.
Virial Ratio = -2.00036609