(1s 2 2s 2 2p 1 5p 1 ) 3 S Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 3.541764 | .35618138 |
| 2 | 3p | 1.891660 | -3.46544773 |
| 3 | 4p | 1.670045 | 8.98186202 |
| 4 | 5p | 1.672098 | -6.63018054 |
| 5 | 2p | 8.223866 | .04113851 |
| 6 | 5p | 2.488809 | .09644706 |
| 7 | 5p | 17.383502 | .00046861 |
| 8 | 4p | 10.263226 | .00838390 |
| ORB.ENERGY,a.u. | -1.375800 | ||
| NORM | 1.000005 | < R > | 4.246332 | < R2 > | 20.273615 | < 1/R > | .339490 | < 1/R**2 > | .404706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.184412 | 1.08520161 |
| 2 | 3p | 6.458184 | -.10661299 |
| 3 | 2p | 12.026011 | .01937123 |
| 4 | 5p | 13.430158 | .00380645 |
| 5 | 4p | 25.567122 | -.00086247 |
| 6 | 5p | 5.531140 | .00557364 |
| 7 | 5p | 77.717816 | -.00001975 |
| ORB.ENERGY,a.u. | -11.807000 | ||
| NORM | 1.000000 | < R > | .471866 | < R2 > | .269962 | < 1/R > | 2.684521 | < 1/R**2 > | 9.780174 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.327614 | .35721209 |
| 2 | 2s | 4.748412 | -.80185374 |
| 3 | 3s | 6.994805 | -.27901433 |
| 4 | 4s | 24.372962 | .00152898 |
| 5 | 5s | 13.686476 | -.01270184 |
| 6 | 5s | 5.276081 | .01807668 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538831 | < R2 > | .340005 | < 1/R > | 2.711481 | < 1/R**2 > | 29.764381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172429 | .92309842 |
| 2 | 1s | 18.754124 | .07811767 |
| 3 | 2s | 10.686504 | .01816273 |
| 4 | 3s | 13.461702 | -.01674359 |
| 5 | 4s | 64.484548 | -.00007123 |
| 6 | 5s | 30.114249 | .00086244 |
| 7 | 4s | 3.593262 | .00001895 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119337 | < R2 > | .019091 | < 1/R > | 12.649772 | < 1/R**2 > | 322.499894 |
Total Energy= -205.14445390 a.u.
Kinetic Energy= 205.14514248 a.u.
Potential Energy= -410.28959638 a.u.
Virial Ratio = -1.99999664