(1s 2 2s 2 2p 1 4p 1 ) 1 S Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 5.421503 | .19197140 |
| 2 | 3p | 2.245375 | -.92834569 |
| 3 | 5p | 2.319541 | 1.35914979 |
| 4 | 4p | 3.381156 | -.33630732 |
| 5 | 5p | 6.670798 | .05567555 |
| 6 | 4p | 13.583970 | -.00442592 |
| 7 | 5p | 2.021141 | .27760642 |
| 8 | 5p | 32.111520 | -.00053595 |
| 9 | 4p | 49.329137 | -.00009948 |
| ORB.ENERGY,a.u. | -2.159000 | ||
| NORM | 1.000000 | < R > | 2.654942 | < R2 > | 7.942362 | < 1/R > | .481028 | < 1/R**2 > | .436989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.149743 | 1.03094689 |
| 2 | 3p | 2.753887 | -.11340273 |
| 3 | 2p | 11.125514 | .03971568 |
| 4 | 5p | 8.836434 | -.02090676 |
| 5 | 5p | 2.208579 | .13874513 |
| 6 | 4p | 23.656119 | -.00115799 |
| 7 | 3p | 33.321214 | -.00009374 |
| ORB.ENERGY,a.u. | -11.597000 | ||
| NORM | 1.000000 | < R > | .477253 | < R2 > | .329078 | < 1/R > | 2.738630 | < 1/R**2 > | 10.158726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.326598 | .35692155 |
| 2 | 2s | 4.750527 | -.80041746 |
| 3 | 3s | 6.996999 | -.27960349 |
| 4 | 4s | 24.242076 | .00164035 |
| 5 | 5s | 13.624005 | -.01211696 |
| 6 | 5s | 5.256658 | .01589891 |
| 7 | 4s | 2.230117 | .00031154 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539332 | < R2 > | .340683 | < 1/R > | 2.708908 | < 1/R**2 > | 29.712560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172112 | .92324085 |
| 2 | 1s | 18.771319 | .07792352 |
| 3 | 2s | 10.739301 | .01819107 |
| 4 | 3s | 13.535362 | -.01671207 |
| 5 | 4s | 65.117980 | -.00006852 |
| 6 | 5s | 30.057480 | .00089418 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119348 | < R2 > | .019095 | < 1/R > | 12.648992 | < 1/R**2 > | 322.468599 |
Total Energy= -205.97059165 a.u.
Kinetic Energy= 205.92777681 a.u.
Potential Energy= -411.89836846 a.u.
Virial Ratio = -2.00020791