(1s 2 2s 2 2p 4 5s 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 11.221532 | .04617669 |
| 2 | 2s | 3.393443 | -.25616991 |
| 3 | 3s | 1.775685 | 1.33860086 |
| 4 | 4s | 1.293484 | -3.40993266 |
| 5 | 5s | 1.147153 | 2.89777008 |
| 6 | 5s | 10.729909 | -.01140749 |
| 7 | 4s | 13.698862 | -.00833463 |
| 8 | 5s | 35.771312 | -.00023484 |
| 9 | 3s | .755239 | .02350481 |
| 10 | 4s | 52.139987 | -.00006229 |
| ORB.ENERGY,a.u. | -.638160 | ||
| NORM | .999999 | < R > | 5.898676 | < R2 > | 38.944067 | < 1/R > | .237918 | < 1/R**2 > | .523850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.012629 | .06718532 |
| 2 | 4p | 11.633870 | .01437126 |
| 3 | 5p | 2.716009 | .00033904 |
| 4 | 5p | 29.304534 | -.00016274 |
| 5 | 2p | 4.176039 | 1.23274459 |
| 6 | 3p | 4.936365 | -.30389600 |
| ORB.ENERGY,a.u. | -6.684000 | ||
| NORM | 1.000000 | < R > | .537334 | < R2 > | .356258 | < 1/R > | 2.406098 | < 1/R**2 > | 8.039492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.547842 | .31837799 |
| 2 | 2s | 4.422464 | -.76092099 |
| 3 | 3s | 7.099572 | -.23573104 |
| 4 | 4s | 5.295822 | -.06836601 |
| 5 | 5s | 14.978792 | -.01100634 |
| 6 | 5s | 1.593592 | -.01027046 |
| 7 | 3s | .655450 | .01600443 |
| 8 | 3s | 48.986092 | -.00009302 |
| 9 | 4s | 84.850635 | .00001934 |
| 10 | 5s | .765003 | -.00641560 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .584803 | < R2 > | .404673 | < 1/R > | 2.489143 | < 1/R**2 > | 25.386865 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.256058 | .92455299 |
| 2 | 1s | 18.506652 | .07206400 |
| 3 | 2s | 8.157845 | .01805132 |
| 4 | 3s | 10.382519 | -.01661686 |
| 5 | 4s | 12.520230 | .00867128 |
| 6 | 4s | .604241 | .00226588 |
| 7 | 5s | 31.110026 | .00103748 |
| 8 | 4s | 74.335061 | -.00003704 |
| 9 | 5s | .742282 | -.00247666 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120005 | < R2 > | .019360 | < 1/R > | 12.605463 | < 1/R**2 > | 320.759363 |
Total Energy= -230.68961321 a.u.
Kinetic Energy= 230.68508734 a.u.
Potential Energy= -461.37470055 a.u.
Virial Ratio = -2.00001962