(1s 2 2s 2 2p 1 5p 1 ) 1 S Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 4.346111 | .18063793 |
| 2 | 3p | 1.700894 | -2.50795577 |
| 3 | 4p | 1.479157 | 7.47169255 |
| 4 | 5p | 1.449326 | -5.58731054 |
| 5 | 2p | 14.411410 | .00094866 |
| 6 | 5p | 6.012739 | .05313176 |
| 7 | 5p | 2.795934 | -.29762170 |
| ORB.ENERGY,a.u. | -1.044800 | ||
| NORM | 1.000003 | < R > | 4.880443 | < R2 > | 26.776989 | < 1/R > | .275644 | < 1/R**2 > | .185076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.798576 | 1.21030646 |
| 2 | 3p | 1.029901 | -.55886743 |
| 3 | 3p | 6.538165 | -.21754004 |
| 4 | 4p | 1.687485 | .20373814 |
| 5 | 5p | 1.822081 | .23157004 |
| 6 | 5p | 9.967679 | .01863639 |
| 7 | 5p | 1.192938 | .13545252 |
| 8 | 4p | 19.361074 | -.00311217 |
| 9 | 3p | 23.147820 | -.00077398 |
| 10 | 4p | .816501 | .00689574 |
| ORB.ENERGY,a.u. | -9.464700 | ||
| NORM | 1.000000 | < R > | .529390 | < R2 > | .412854 | < 1/R > | 2.452069 | < 1/R**2 > | 8.168830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.526789 | .34715411 |
| 2 | 2s | 4.277732 | -.79830835 |
| 3 | 3s | 6.410870 | -.27723781 |
| 4 | 4s | 22.708555 | .00154825 |
| 5 | 5s | 12.556012 | -.01415720 |
| 6 | 5s | 4.797912 | .02036133 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592232 | < R2 > | .410979 | < 1/R > | 2.461361 | < 1/R**2 > | 24.536824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194524 | .92245734 |
| 2 | 1s | 17.364201 | .07947907 |
| 3 | 2s | 9.674310 | .01719446 |
| 4 | 3s | 12.373838 | -.01622957 |
| 5 | 4s | 59.644198 | -.00007658 |
| 6 | 5s | 27.699994 | .00093965 |
| 7 | 4s | 3.263633 | .00001989 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129631 | < R2 > | .022537 | < 1/R > | 11.651173 | < 1/R**2 > | 273.761719 |
Total Energy= -172.79639157 a.u.
Kinetic Energy= 172.77725074 a.u.
Potential Energy= -345.57364230 a.u.
Virial Ratio = -2.00011078