(1s 2 2s 2 2p 1 3p 1 ) 1 S Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 2.263271 | .84447658 |
| 2 | 3p | 2.554544 | -1.78604529 |
| 3 | 2p | 8.010771 | .02207436 |
| 4 | 4p | 5.632317 | .04881991 |
| 5 | 5p | 16.396706 | .00173196 |
| 6 | 5p | 2.555634 | -.02606489 |
| 7 | 4p | 25.454141 | .00014633 |
| ORB.ENERGY,a.u. | -3.117700 | ||
| NORM | 1.000000 | < R > | 1.575752 | < R2 > | 2.745633 | < 1/R > | .718162 | < 1/R**2 > | .662426 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.744552 | 1.05021079 |
| 2 | 3p | 2.242048 | -.27713440 |
| 3 | 2p | 10.199716 | .04238910 |
| 4 | 5p | 79.885525 | -.00000985 |
| 5 | 5p | 13.757408 | .00495826 |
| 6 | 4p | 25.568984 | -.00049276 |
| 7 | 5p | 2.328623 | .06903045 |
| 8 | 4p | 2.002968 | -.03920270 |
| 9 | 3p | .514846 | .00006974 |
| ORB.ENERGY,a.u. | -8.973000 | ||
| NORM | 1.000000 | < R > | .498235 | < R2 > | .336890 | < 1/R > | 2.590364 | < 1/R**2 > | 9.001456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.537619 | .34512290 |
| 2 | 2s | 4.260531 | -.79768607 |
| 3 | 3s | 6.383862 | -.27619455 |
| 4 | 4s | 23.048941 | .00132231 |
| 5 | 5s | 12.627355 | -.01460802 |
| 6 | 5s | 5.077767 | .01856985 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .594914 | < R2 > | .415116 | < 1/R > | 2.450565 | < 1/R**2 > | 24.341062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192144 | .92314728 |
| 2 | 1s | 17.425480 | .07873203 |
| 3 | 2s | 9.870633 | .01710876 |
| 4 | 3s | 12.655036 | -.01606269 |
| 5 | 4s | 61.327188 | -.00006696 |
| 6 | 5s | 27.664307 | .00104397 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129679 | < R2 > | .022556 | < 1/R > | 11.648273 | < 1/R**2 > | 273.654622 |
Total Energy= -174.91688411 a.u.
Kinetic Energy= 174.84896034 a.u.
Potential Energy= -349.76584445 a.u.
Virial Ratio = -2.00038847