(1s 2 2s 2 2p 1 5p 1 ) 1 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 2.896847 | .33939683 |
| 2 | 3p | 1.708149 | -3.21703595 |
| 3 | 4p | 1.468488 | 8.31361266 |
| 4 | 5p | 1.465956 | -6.29380187 |
| 5 | 2p | 7.707312 | .02083614 |
| 6 | 5p | 2.243915 | .15672853 |
| 7 | 5p | 28.307095 | -.00024343 |
| 8 | 4p | 47.131773 | -.00002912 |
| ORB.ENERGY,a.u. | -1.057000 | ||
| NORM | 1.000000 | < R > | 4.825951 | < R2 > | 26.188977 | < 1/R > | .279995 | < 1/R**2 > | .195896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.789467 | 1.21504016 |
| 2 | 3p | 1.047638 | -.55628046 |
| 3 | 3p | 6.484243 | -.22124557 |
| 4 | 4p | 1.706406 | .21714383 |
| 5 | 5p | 1.825569 | .22849044 |
| 6 | 5p | 9.783071 | .01791345 |
| 7 | 5p | 1.184733 | .12869678 |
| 8 | 4p | 18.717956 | -.00360855 |
| 9 | 3p | 22.338252 | -.00095539 |
| ORB.ENERGY,a.u. | -9.476900 | ||
| NORM | 1.000000 | < R > | .530141 | < R2 > | .413312 | < 1/R > | 2.449893 | < 1/R**2 > | 8.157538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.528035 | .34708844 |
| 2 | 2s | 4.276799 | -.79815203 |
| 3 | 3s | 6.413874 | -.27706336 |
| 4 | 4s | 22.827320 | .00152247 |
| 5 | 5s | 12.522337 | -.01433042 |
| 6 | 5s | 4.781846 | .02027353 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592239 | < R2 > | .410988 | < 1/R > | 2.461331 | < 1/R**2 > | 24.536222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194516 | .92245390 |
| 2 | 1s | 17.364478 | .07947985 |
| 3 | 2s | 9.677045 | .01719489 |
| 4 | 3s | 12.374866 | -.01622713 |
| 5 | 4s | 59.609127 | -.00007658 |
| 6 | 5s | 27.707066 | .00093872 |
| 7 | 4s | 3.275421 | .00002036 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129631 | < R2 > | .022537 | < 1/R > | 11.651182 | < 1/R**2 > | 273.762037 |
Total Energy= -172.79710817 a.u.
Kinetic Energy= 172.78942555 a.u.
Potential Energy= -345.58653371 a.u.
Virial Ratio = -2.00004446