(1s 2 2s 2 2p 4 4p 1 ) 4 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 11.770651 | .02174822 |
| 2 | 3p | .816063 | 2.19329392 |
| 3 | 4p | 1.811867 | -1.20718744 |
| 4 | 5p | 3.380279 | -.18070547 |
| 5 | 3p | 9.085031 | .07077132 |
| 6 | 5p | .931466 | -.64961392 |
| 7 | 4p | 7.048281 | .07392673 |
| 8 | 4p | 1.376056 | .09084335 |
| 9 | 5p | 54.448706 | .00000729 |
| ORB.ENERGY,a.u. | -.636490 | ||
| NORM | 1.000002 | < R > | 4.506589 | < R2 > | 22.963896 | < 1/R > | .308651 | < 1/R**2 > | .285144 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.675670 | 1.27921607 |
| 2 | 3p | 4.377565 | -.35375986 |
| 3 | 2p | 9.175842 | .06922358 |
| 4 | 4p | 10.544751 | .01614593 |
| 5 | 5p | 1.435702 | -.00596971 |
| 6 | 5p | 27.484702 | -.00016054 |
| 7 | 4p | 1.266697 | .00605865 |
| ORB.ENERGY,a.u. | -4.810900 | ||
| NORM | 1.000000 | < R > | .604089 | < R2 > | .452207 | < 1/R > | 2.150681 | < 1/R**2 > | 6.458380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.828684 | .34947094 |
| 2 | 2s | 4.732894 | -.83248108 |
| 3 | 3s | 4.106890 | -.29447182 |
| 4 | 4s | 14.818296 | .00968319 |
| 5 | 3s | 16.142864 | .00517847 |
| 6 | 5s | 29.661276 | .00044314 |
| 7 | 5s | 3.841009 | -.00319371 |
| 8 | 4s | 1.341241 | .00018478 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649188 | < R2 > | .499349 | < 1/R > | 2.237644 | < 1/R**2 > | 20.540845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247795 | .91829620 |
| 2 | 1s | 16.928169 | .07951450 |
| 3 | 2s | 6.350608 | .01951380 |
| 4 | 3s | 7.896869 | -.02016715 |
| 5 | 4s | 10.048428 | .00980071 |
| 6 | 5s | 28.261402 | .00096946 |
| 7 | 4s | 64.564037 | -.00005632 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130358 | < R2 > | .022850 | < 1/R > | 11.610522 | < 1/R**2 > | 272.294174 |
Total Energy= -192.61461667 a.u.
Kinetic Energy= 192.61931720 a.u.
Potential Energy= -385.23393387 a.u.
Virial Ratio = -1.99997560