(1s 2 2s 1 5s 1 ) 1 S Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.281137 | 1.01867263 |
| 2 | 2s | 1.564166 | -8.52000808 |
| 3 | 3s | 2.310575 | 9.13820614 |
| 4 | 4s | 1.791953 | -8.25289383 |
| 5 | 5s | 1.839285 | 8.08356115 |
| 6 | 5s | 3.868135 | -.05536317 |
| 7 | 1s | 13.632474 | .00961343 |
| 8 | 5s | 14.388562 | -.00446249 |
| 9 | 4s | 10.163329 | .01025550 |
| ORB.ENERGY,a.u. | -1.715600 | ||
| NORM | .999991 | < R > | 3.935503 | < R2 > | 17.333480 | < 1/R > | .345361 | < 1/R**2 > | .748164 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.443744 | .33185467 |
| 2 | 2s | 2.974268 | -.80202332 |
| 3 | 3s | 6.912646 | -.60734911 |
| 4 | 4s | 3.893515 | .45324240 |
| 5 | 5s | 1.587926 | .93565037 |
| 6 | 5s | 15.365322 | -.00536480 |
| 7 | 4s | 1.377600 | -1.31259561 |
| 8 | 4s | 31.163401 | -.00039371 |
| 9 | 3s | 1.129355 | .39971656 |
| 10 | 3s | 43.254877 | -.00011676 |
| 11 | 2s | 90.024312 | -.00000208 |
| ORB.ENERGY,a.u. | -13.157000 | ||
| NORM | 1.000000 | < R > | .564843 | < R2 > | .415267 | < 1/R > | 2.651720 | < 1/R**2 > | 28.409668 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426160 | .93841746 |
| 2 | 1s | 18.673384 | .05125313 |
| 3 | 2s | 14.334395 | .01478177 |
| 4 | 3s | 8.623067 | .00227276 |
| 5 | 4s | 46.057472 | -.00064697 |
| 6 | 5s | 60.651378 | .00024200 |
| 7 | 5s | 4.772411 | .00280148 |
| 8 | 4s | 3.805313 | -.00277133 |
| 9 | 3s | .811885 | .00024830 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129239 | < R2 > | .022379 | < 1/R > | 11.675559 | < 1/R**2 > | 274.682231 |
Total Energy= -151.80706215 a.u.
Kinetic Energy= 151.79860119 a.u.
Potential Energy= -303.60566334 a.u.
Virial Ratio = -2.00005574