(1s 2 2s 2 2p 6 3s 1 4s 1 ) 1 S Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 10.702161 | .01377774 |
| 2 | 2s | 4.343585 | -.05071697 |
| 3 | 3s | 1.130929 | .54090631 |
| 4 | 4s | 1.008067 | -.93296948 |
| 5 | 5s | 3.095118 | .00971279 |
| 6 | 3s | 20.209444 | .00041421 |
| 7 | 5s | .844042 | -.48961791 |
| 8 | 4s | 34.947783 | -.00010201 |
| ORB.ENERGY,a.u. | -.264430 | ||
| NORM | 1.000000 | < R > | 5.883107 | < R2 > | 37.632059 | < 1/R > | .188588 | < 1/R**2 > | .074857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .642387 | 1.00143705 |
| 2 | 1s | 13.370116 | .06119097 |
| 3 | 2s | 3.651532 | -.53347741 |
| 4 | 3s | .777222 | -.57396081 |
| 5 | 4s | 2.013357 | .54812486 |
| 6 | 5s | 10.413306 | -.03569489 |
| 7 | 4s | 13.059167 | -.03231561 |
| 8 | 3s | 5.471602 | .00160239 |
| 9 | 2s | 22.022067 | .00195773 |
| 10 | 5s | .658252 | -.00731902 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000001 | < R > | 2.159522 | < R2 > | 5.621677 | < 1/R > | .622915 | < 1/R**2 > | 2.177029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.188095 | .52667930 |
| 2 | 3p | 4.989556 | .39092512 |
| 3 | 4p | 4.319802 | .16771725 |
| 4 | 5p | 3.637390 | .03167266 |
| 5 | 2p | 13.544898 | .01232362 |
| 6 | 5p | 10.668517 | -.01026966 |
| 7 | 4p | 52.679353 | .00001904 |
| 8 | 3p | 1.981906 | .00157793 |
| 9 | 5p | 1.137635 | -.00008743 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .598994 | < R2 > | .452367 | < 1/R > | 2.208742 | < 1/R**2 > | 6.934402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 4s | 1.697089 | .00709404 |
| 2 | 2s | 41.940365 | .00042114 |
| 3 | 1s | 10.945595 | .32564038 |
| 4 | 2s | 5.076221 | -.80490875 |
| 5 | 3s | 4.161097 | -.31823105 |
| 6 | 4s | 16.883374 | .01522930 |
| 7 | 3s | 25.695353 | .00554594 |
| 8 | 2s | 1.211189 | -.01237493 |
| 9 | 5s | 27.585302 | .00214581 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .619899 | < R2 > | .458739 | < 1/R > | 2.349605 | < 1/R**2 > | 22.808849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586558 | 1.01574449 |
| 2 | 2s | 17.928371 | -.02458926 |
| 3 | 3s | 8.784373 | .02362119 |
| 4 | 4s | 40.978426 | -.00021277 |
| 5 | 4s | 29.568854 | .00036482 |
| 6 | 2s | 64.486760 | .00003080 |
| 7 | 5s | 10.829634 | -.00903843 |
| 8 | 3s | 4.453323 | .00029126 |
| 9 | 2s | 117.781554 | -.00000030 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120255 | < R2 > | .019458 | < 1/R > | 12.589471 | < 1/R**2 > | 320.138491 |
Total Energy= -241.29729540 a.u.
Kinetic Energy= 241.29484890 a.u.
Potential Energy= -482.59214430 a.u.
Virial Ratio = -2.00001014