(1s 2 2s 2 2p 4 5p 1 ) 2 S Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 3.246156 | .17246750 |
| 2 | 3p | 1.413764 | -1.86361849 |
| 3 | 4p | 1.260482 | 3.91006644 |
| 4 | 5p | 1.070529 | -2.75047660 |
| 5 | 5p | 19.276404 | -.00094447 |
| 6 | 4p | 28.484948 | -.00031243 |
| 7 | 2p | 7.016180 | .05168088 |
| 8 | 2p | 1.724212 | -.05027715 |
| 9 | 4p | .552425 | .00229665 |
| ORB.ENERGY,a.u. | -.582070 | ||
| NORM | 1.000002 | < R > | 6.264270 | < R2 > | 44.119305 | < 1/R > | .227322 | < 1/R**2 > | .190772 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.162578 | 1.23671437 |
| 2 | 3p | 4.898538 | -.30887555 |
| 3 | 2p | 10.097733 | .06652913 |
| 4 | 4p | 11.932118 | .01648775 |
| 5 | 5p | 1.488896 | .00448810 |
| 6 | 5p | 17.588297 | -.00069907 |
| 7 | 4p | 52.532985 | .00002782 |
| 8 | 4p | 1.120265 | -.00445134 |
| ORB.ENERGY,a.u. | -6.689700 | ||
| NORM | 1.000000 | < R > | .537164 | < R2 > | .356038 | < 1/R > | 2.406750 | < 1/R**2 > | 8.043354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.572000 | .36310672 |
| 2 | 2s | 5.225583 | -.84232122 |
| 3 | 3s | 4.570202 | -.29849725 |
| 4 | 4s | 15.743008 | .00771354 |
| 5 | 3s | 16.265100 | .00636744 |
| 6 | 5s | 31.674637 | .00046609 |
| 7 | 5s | 5.516970 | .00748003 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585323 | < R2 > | .404971 | < 1/R > | 2.486658 | < 1/R**2 > | 25.339738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252346 | .92403368 |
| 2 | 1s | 18.422118 | .07306820 |
| 3 | 2s | 7.087448 | .02048807 |
| 4 | 3s | 8.754297 | -.02086871 |
| 5 | 4s | 11.089124 | .00995285 |
| 6 | 5s | 30.513972 | .00084734 |
| 7 | 4s | 67.920054 | -.00005847 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120005 | < R2 > | .019355 | < 1/R > | 12.605404 | < 1/R**2 > | 320.757086 |
Total Energy= -230.63361421 a.u.
Kinetic Energy= 230.62950198 a.u.
Potential Energy= -461.26311619 a.u.
Virial Ratio = -2.00001783