(1s 2 2s 2 2p 2 4s 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 9.979319 | .08738245 |
| 2 | 2s | 2.300074 | -1.20997718 |
| 3 | 3s | 2.151901 | 2.80784786 |
| 4 | 4s | 1.680558 | -2.01807913 |
| 5 | 5s | 3.099033 | -.21264132 |
| 6 | 4s | 9.944240 | -.01371485 |
| 7 | 5s | 25.641993 | .00014811 |
| 8 | 5s | 1.456660 | -.00682030 |
| ORB.ENERGY,a.u. | -1.396800 | ||
| NORM | .999999 | < R > | 3.242886 | < R2 > | 11.800848 | < 1/R > | .430509 | < 1/R**2 > | 1.394215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.336030 | 1.19440218 |
| 2 | 3p | 5.197948 | -.21944196 |
| 3 | 2p | 11.717111 | .02174567 |
| 4 | 4p | 13.972475 | .00810260 |
| 5 | 5p | 20.404662 | -.00172690 |
| 6 | 5p | 2.722590 | .00063955 |
| 7 | 4p | 56.436696 | .00003001 |
| ORB.ENERGY,a.u. | -7.846400 | ||
| NORM | 1.000000 | < R > | .545392 | < R2 > | .362855 | < 1/R > | 2.339796 | < 1/R**2 > | 7.495899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.561352 | .38926299 |
| 2 | 2s | 5.035495 | -.85323812 |
| 3 | 3s | 4.997279 | -.27017896 |
| 4 | 4s | 20.091489 | .00334060 |
| 5 | 3s | 10.360373 | .02986768 |
| 6 | 5s | 5.333468 | -.04557711 |
| 7 | 4s | 1.427165 | -.03361233 |
| 8 | 3s | 1.144906 | .02805485 |
| 9 | 5s | 55.856295 | .00003575 |
| 10 | 5s | .956841 | -.00091618 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .609076 | < R2 > | .436318 | < 1/R > | 2.389756 | < 1/R**2 > | 23.225762 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.174590 | .90764000 |
| 2 | 1s | 16.900799 | .09131772 |
| 3 | 2s | 9.375102 | .01914797 |
| 4 | 3s | 11.217512 | -.01663040 |
| 5 | 5s | 27.220235 | .00093809 |
| 6 | 4s | 59.263919 | -.00007971 |
| 7 | 5s | 12.859688 | .00323334 |
| 8 | 3s | 1.849207 | .00406713 |
| 9 | 4s | 2.544211 | -.00390846 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129932 | < R2 > | .022668 | < 1/R > | 11.634128 | < 1/R**2 > | 273.142925 |
Total Energy= -181.40728686 a.u.
Kinetic Energy= 181.39506246 a.u.
Potential Energy= -362.80234932 a.u.
Virial Ratio = -2.00006739