(1s 2 2s 2 2p 6 3s 1 5s 1 ) 3 S Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 11.573321 | .02073821 |
| 2 | 2s | 3.643337 | -.07999173 |
| 3 | 3s | 1.653013 | .28907944 |
| 4 | 4s | .810274 | -1.67295006 |
| 5 | 5s | .563327 | 1.39538664 |
| 6 | 5s | 14.582327 | -.00090254 |
| 7 | 3s | 7.506393 | -.01427690 |
| 8 | 3s | .657102 | .63647893 |
| ORB.ENERGY,a.u. | -.141910 | ||
| NORM | 1.000001 | < R > | 10.690351 | < R2 > | 127.579023 | < 1/R > | .124403 | < 1/R**2 > | .125810 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.074554 | 1.11173169 |
| 2 | 1s | 14.717992 | .03629538 |
| 3 | 2s | 4.470083 | -.58912892 |
| 4 | 3s | 3.659649 | -.28865904 |
| 5 | 4s | 1.870020 | .38252770 |
| 6 | 5s | 4.308517 | -.08163199 |
| 7 | 4s | 11.953763 | -.01926286 |
| 8 | 2s | 17.868567 | .00396056 |
| 9 | 5s | 1.112870 | -.00428515 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.235392 | < R2 > | 5.693019 | < 1/R > | .590130 | < 1/R**2 > | 1.928892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.186145 | .52713676 |
| 2 | 3p | 4.988685 | .39048707 |
| 3 | 4p | 4.323493 | .16743643 |
| 4 | 5p | 3.648258 | .03160023 |
| 5 | 2p | 13.533282 | .01237126 |
| 6 | 5p | 10.659262 | -.01025771 |
| 7 | 4p | 53.011173 | .00001865 |
| 8 | 3p | 1.981518 | .00158574 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .598751 | < R2 > | .451923 | < 1/R > | 2.209342 | < 1/R**2 > | 6.937494 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.694862 | .33716250 |
| 2 | 2s | 5.099166 | -.80248923 |
| 3 | 3s | 4.166205 | -.32510134 |
| 4 | 4s | 17.263575 | .00817172 |
| 5 | 3s | 19.734928 | .00255010 |
| 6 | 2s | .711211 | -.02479187 |
| 7 | 5s | 34.755442 | .00024057 |
| 8 | 4s | 1.068229 | .05494213 |
| 9 | 5s | 1.248706 | -.03330547 |
| 10 | 2s | 148.638433 | .00000033 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .619859 | < R2 > | .458647 | < 1/R > | 2.349665 | < 1/R**2 > | 22.809486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586558 | 1.01574475 |
| 2 | 2s | 17.928610 | -.02458964 |
| 3 | 3s | 8.784099 | .02362237 |
| 4 | 4s | 40.941448 | -.00021276 |
| 5 | 4s | 29.549960 | .00036481 |
| 6 | 2s | 64.437208 | .00003083 |
| 7 | 5s | 10.828916 | -.00903931 |
| 8 | 3s | 4.452665 | .00029145 |
| 9 | 2s | 123.702412 | -.00000026 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120255 | < R2 > | .019458 | < 1/R > | 12.589467 | < 1/R**2 > | 320.138485 |
Total Energy= -241.17073088 a.u.
Kinetic Energy= 241.17249709 a.u.
Potential Energy= -482.34322796 a.u.
Virial Ratio = -1.99999268