(1s 2 2s 2 2p 3 5p 1 ) 3 P Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 3.255890 | .22880863 |
| 2 | 3p | 1.595202 | -2.34781289 |
| 3 | 4p | 1.407487 | 5.11792995 |
| 4 | 5p | 1.275614 | -3.49305053 |
| 5 | 2p | 7.569188 | .04043398 |
| 6 | 5p | 22.896772 | -.00047493 |
| 7 | 4p | 33.022379 | -.00014607 |
| 8 | 5p | 1.139786 | -.10062969 |
| ORB.ENERGY,a.u. | -.806850 | ||
| NORM | 1.000007 | < R > | 5.429531 | < R2 > | 33.135066 | < 1/R > | .259146 | < 1/R**2 > | .225032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.779918 | 1.38080276 |
| 2 | 3p | 6.225252 | -.47492053 |
| 3 | 4p | 7.797519 | .09009696 |
| 4 | 5p | 1.616112 | .10556470 |
| 5 | 4p | 1.359170 | -.12992736 |
| 6 | 4p | 19.562600 | -.00247342 |
| 7 | 3p | 22.134946 | -.00082030 |
| 8 | 3p | 1.482791 | .03017375 |
| 9 | 5p | .915984 | -.00122451 |
| ORB.ENERGY,a.u. | -8.604000 | ||
| NORM | 1.000000 | < R > | .510127 | < R2 > | .319830 | < 1/R > | 2.510745 | < 1/R**2 > | 8.661287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.483980 | .37842122 |
| 2 | 2s | 5.348254 | -.84688628 |
| 3 | 3s | 5.029358 | -.28292142 |
| 4 | 4s | 21.472535 | .00227952 |
| 5 | 3s | 12.468005 | .01676921 |
| 6 | 5s | 5.163090 | -.01564922 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569306 | < R2 > | .381731 | < 1/R > | 2.558667 | < 1/R**2 > | 26.723766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.168699 | .91994688 |
| 2 | 1s | 18.714625 | .07895335 |
| 3 | 2s | 10.838278 | .01803182 |
| 4 | 3s | 15.239287 | -.01488496 |
| 5 | 4s | 23.758993 | .00309856 |
| 6 | 5s | 41.976483 | .00013721 |
| 7 | 5s | 9.365368 | .00077507 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119828 | < R2 > | .019284 | < 1/R > | 12.616932 | < 1/R**2 > | 321.207192 |
Total Energy= -223.93399199 a.u.
Kinetic Energy= 223.92515901 a.u.
Potential Energy= -447.85915100 a.u.
Virial Ratio = -2.00003945