(1s 2 2s 2 2p 4 5p 1 ) 4 S Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 3.248451 | .17193539 |
| 2 | 3p | 1.414886 | -1.86182070 |
| 3 | 4p | 1.260776 | 3.90296856 |
| 4 | 5p | 1.070294 | -2.74680312 |
| 5 | 2p | 7.016331 | .05166857 |
| 6 | 5p | 19.258791 | -.00094530 |
| 7 | 4p | 28.457865 | -.00031355 |
| 8 | 2p | 1.727576 | -.04861794 |
| 9 | 4p | .568088 | .00268375 |
| ORB.ENERGY,a.u. | -.582070 | ||
| NORM | 1.000003 | < R > | 6.264280 | < R2 > | 44.119370 | < 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 | 10.572431 | .36308448 |
| 2 | 2s | 5.225239 | -.84230329 |
| 3 | 3s | 4.570232 | -.29851419 |
| 4 | 4s | 15.750060 | .00764931 |
| 5 | 3s | 16.234078 | .00640183 |
| 6 | 5s | 31.682198 | .00046489 |
| 7 | 5s | 5.522633 | .00753805 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585324 | < R2 > | .404971 | < 1/R > | 2.486658 | < 1/R**2 > | 25.339740 |
| 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= -230.63361622 a.u.
Kinetic Energy= 230.62950229 a.u.
Potential Energy= -461.26311851 a.u.
Virial Ratio = -2.00001784