(1s 2 2s 2 2p 5 5s 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 11.433960 | .03740724 |
| 2 | 2s | 3.476428 | -.17793399 |
| 3 | 3s | 1.620377 | .99504831 |
| 4 | 4s | 1.132195 | -2.52848052 |
| 5 | 5s | .947764 | 2.30892149 |
| 6 | 5s | 10.635188 | -.01208352 |
| 7 | 4s | 13.743989 | -.00863408 |
| 8 | 5s | 34.677030 | -.00030980 |
| 9 | 4s | 51.533399 | -.00007716 |
| ORB.ENERGY,a.u. | -.435050 | ||
| NORM | .999998 | < R > | 6.923865 | < R2 > | 53.682402 | < 1/R > | .201359 | < 1/R**2 > | .371219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.842025 | 1.29874927 |
| 2 | 3p | 4.578673 | -.38827259 |
| 3 | 2p | 9.542230 | .08634206 |
| 4 | 4p | 11.219176 | .01849981 |
| 5 | 5p | 77.941092 | .00000996 |
| 6 | 5p | 2.795466 | .01119193 |
| 7 | 4p | 2.479474 | -.01264760 |
| ORB.ENERGY,a.u. | -5.392400 | ||
| NORM | 1.000000 | < R > | .565464 | < R2 > | .398083 | < 1/R > | 2.309505 | < 1/R**2 > | 7.485979 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.762917 | .30085409 |
| 2 | 2s | 4.079438 | -.77407193 |
| 3 | 3s | 7.481409 | -.23108379 |
| 4 | 4s | 6.047258 | -.05219076 |
| 5 | 5s | 15.266703 | -.00924197 |
| 6 | 5s | .846682 | .03563693 |
| 7 | 4s | .722297 | -.04000398 |
| 8 | 3s | 49.913047 | -.00012690 |
| 9 | 2s | .429512 | .00630220 |
| 10 | 3s | 54.797786 | .00007817 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .601677 | < R2 > | .430024 | < 1/R > | 2.418594 | < 1/R**2 > | 24.062833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196658 | .91387478 |
| 2 | 1s | 18.100219 | .08378469 |
| 3 | 2s | 7.195657 | .01897534 |
| 4 | 3s | 9.079050 | -.01989786 |
| 5 | 4s | 11.336625 | .01048379 |
| 6 | 5s | 31.193576 | .00091777 |
| 7 | 4s | 70.914051 | -.00004207 |
| 8 | 5s | 1.643041 | .00003919 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120147 | < R2 > | .019413 | < 1/R > | 12.596343 | < 1/R**2 > | 320.405205 |
Total Energy= -236.08013407 a.u.
Kinetic Energy= 236.07749603 a.u.
Potential Energy= -472.15763009 a.u.
Virial Ratio = -2.00001117