(1s 2 2s 2 2p 6 3s 1 5p 1 ) 3 P Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 3.955068 | .08346484 |
| 2 | 2p | 10.476398 | .00424141 |
| 3 | 3p | 1.292370 | -.39824557 |
| 4 | 5p | .760048 | 1.14037433 |
| 5 | 4p | .431966 | -3.62588364 |
| 6 | 3p | .371786 | 2.18427015 |
| 7 | 4p | 6.387216 | -.01608047 |
| 8 | 5p | 35.985876 | -.00002354 |
| 9 | 5p | .206379 | -.05532499 |
| 10 | 4p | .181325 | .06137180 |
| ORB.ENERGY,a.u. | -.117130 | ||
| NORM | 1.000010 | < R > | 12.439491 | < R2 > | 173.612550 | < 1/R > | .110210 | < 1/R**2 > | .045670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.177314 | -.16865675 |
| 2 | 1s | 4.428261 | .29466428 |
| 3 | 1s | 15.571716 | .01208133 |
| 4 | 2s | 5.655994 | -.43494781 |
| 5 | 3s | 1.541030 | .88936773 |
| 6 | 4s | 2.462622 | .26506058 |
| 7 | 5s | 6.379617 | -.05556303 |
| 8 | 4s | 49.719836 | -.00002865 |
| 9 | 3s | .451171 | .00032307 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.239758 | < R2 > | 5.713430 | < 1/R > | .588397 | < 1/R**2 > | 1.913100 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.185810 | .52723833 |
| 2 | 3p | 4.988682 | .39040262 |
| 3 | 4p | 4.324402 | .16738667 |
| 4 | 5p | 3.653619 | .03153673 |
| 5 | 2p | 13.533939 | .01237222 |
| 6 | 5p | 10.660551 | -.01027012 |
| 7 | 4p | 52.870290 | .00001879 |
| 8 | 3p | 1.928452 | .00165102 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .598692 | < R2 > | .451815 | < 1/R > | 2.209482 | < 1/R**2 > | 6.938196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 3s | 4.184791 | -.33031059 |
| 2 | 4s | 17.139320 | .00815025 |
| 3 | 3s | 19.405543 | .00273536 |
| 4 | 2s | .918529 | -.02090872 |
| 5 | 5s | 34.535590 | .00025554 |
| 6 | 4s | 1.248947 | .04001881 |
| 7 | 5s | 1.418948 | -.02378232 |
| 8 | 1s | 10.691193 | .33731875 |
| 9 | 2s | 5.116859 | -.79682118 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .619878 | < R2 > | .458660 | < 1/R > | 2.349536 | < 1/R**2 > | 22.806868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586531 | 1.01574559 |
| 2 | 2s | 17.929454 | -.02459084 |
| 3 | 3s | 8.783023 | .02362654 |
| 4 | 4s | 40.883922 | -.00021266 |
| 5 | 4s | 29.530466 | .00036483 |
| 6 | 2s | 64.294212 | .00003099 |
| 7 | 5s | 10.826553 | -.00904204 |
| 8 | 3s | 4.445755 | .00029191 |
| 9 | 2s | 135.418817 | -.00000020 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120256 | < R2 > | .019458 | < 1/R > | 12.589428 | < 1/R**2 > | 320.137039 |
Total Energy= -241.14656642 a.u.
Kinetic Energy= 241.14784009 a.u.
Potential Energy= -482.29440651 a.u.
Virial Ratio = -1.99999472