(1s 2 2s 2 2p 3 4p 1 ) 5 P Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 6.141920 | .18777505 |
| 2 | 3p | 1.310657 | 2.07650361 |
| 3 | 4p | 2.519017 | -1.50096283 |
| 4 | 5p | 4.573835 | -.15494055 |
| 5 | 3p | 12.729884 | -.00347048 |
| 6 | 5p | 1.216984 | -.22828277 |
| 7 | 4p | .789886 | .08781403 |
| 8 | 3p | .345871 | -.06644282 |
| 9 | 4p | 52.428458 | .00000564 |
| 10 | 5p | .442469 | .04375640 |
| ORB.ENERGY,a.u. | -1.335100 | ||
| NORM | 1.000000 | < R > | 3.231134 | < R2 > | 11.801750 | < 1/R > | .434529 | < 1/R**2 > | .547020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.763775 | 1.39051796 |
| 2 | 3p | 6.170947 | -.49378484 |
| 3 | 4p | 7.702730 | .09792741 |
| 4 | 5p | 23.595757 | -.00232190 |
| 5 | 4p | 2.988622 | .01161597 |
| 6 | 4p | 31.883615 | -.00090375 |
| 7 | 5p | 2.949226 | -.00600546 |
| 8 | 3p | 5.112363 | -.00012516 |
| 9 | 3p | 48.375820 | -.00005673 |
| ORB.ENERGY,a.u. | -8.461400 | ||
| NORM | 1.000000 | < R > | .510917 | < R2 > | .319543 | < 1/R > | 2.507293 | < 1/R**2 > | 8.641985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.482897 | .37818641 |
| 2 | 2s | 5.349869 | -.84579838 |
| 3 | 3s | 5.039212 | -.28262063 |
| 4 | 4s | 21.572573 | .00229175 |
| 5 | 3s | 12.379007 | .01710690 |
| 6 | 5s | 5.157554 | -.01800013 |
| 7 | 4s | 1.567192 | .00019525 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569760 | < R2 > | .382400 | < 1/R > | 2.556675 | < 1/R**2 > | 26.685558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.168402 | .91994584 |
| 2 | 1s | 18.713811 | .07895856 |
| 3 | 2s | 10.817790 | .01804818 |
| 4 | 3s | 15.237572 | -.01488586 |
| 5 | 4s | 23.745894 | .00310059 |
| 6 | 5s | 41.962513 | .00013751 |
| 7 | 5s | 9.385772 | .00076069 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119834 | < R2 > | .019287 | < 1/R > | 12.616482 | < 1/R**2 > | 321.189154 |
Total Energy= -224.43904500 a.u.
Kinetic Energy= 224.45316718 a.u.
Potential Energy= -448.89221219 a.u.
Virial Ratio = -1.99993708