(1s 2 2s 2 2p 2 4p 1 ) 4 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 5.960091 | .23517248 |
| 2 | 3p | 1.705000 | -.44099869 |
| 3 | 5p | 2.077574 | 1.31119718 |
| 4 | 4p | 3.158585 | -.65210163 |
| 5 | 5p | 7.606182 | .02503712 |
| 6 | 4p | 18.166146 | -.00257720 |
| 7 | 5p | 1.825366 | .23157242 |
| 8 | 5p | 41.484148 | -.00024003 |
| 9 | 4p | 64.648170 | -.00004625 |
| ORB.ENERGY,a.u. | -1.751400 | ||
| NORM | 1.000000 | < R > | 2.876402 | < R2 > | 9.354682 | < 1/R > | .490543 | < 1/R**2 > | .685291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 12.473974 | .02094243 |
| 2 | 4p | 13.482713 | .00492024 |
| 3 | 5p | 2.085667 | -.00412158 |
| 4 | 5p | 28.179610 | -.00030376 |
| 5 | 4p | 1.843072 | .00403690 |
| 6 | 2p | 4.838219 | 1.18309876 |
| 7 | 3p | 5.801561 | -.20662943 |
| ORB.ENERGY,a.u. | -9.996500 | ||
| NORM | 1.000000 | < R > | .490853 | < R2 > | .293462 | < 1/R > | 2.594555 | < 1/R**2 > | 9.192503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.492441 | .38890028 |
| 2 | 2s | 5.430466 | -.83562099 |
| 3 | 3s | 5.663633 | -.27288770 |
| 4 | 4s | 21.716851 | .00242956 |
| 5 | 3s | 12.255950 | .01833708 |
| 6 | 5s | 5.646029 | -.04247150 |
| 7 | 4s | 1.452131 | .00015829 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554167 | < R2 > | .360637 | < 1/R > | 2.632070 | < 1/R**2 > | 28.168264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.158484 | .91997686 |
| 2 | 1s | 18.807190 | .07951585 |
| 3 | 2s | 11.268741 | .01920896 |
| 4 | 3s | 14.400961 | -.01548747 |
| 5 | 5s | 30.649656 | .00111357 |
| 6 | 4s | 73.323213 | -.00004026 |
| 7 | 5s | 9.888915 | .00055150 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119610 | < R2 > | .019198 | < 1/R > | 12.631330 | < 1/R**2 > | 321.771825 |
Total Energy= -215.96255620 a.u.
Kinetic Energy= 215.98108145 a.u.
Potential Energy= -431.94363765 a.u.
Virial Ratio = -1.99991423