(1s 2 2s 2 2p 4 5d 1 ) 4 F Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 5d- electron | |
| 1 | 3d | 1.088195 | 1.21932697 |
| 2 | 4d | .821119 | -4.99292581 |
| 3 | 5d | .813534 | 4.49544876 |
| 4 | 3d | 2.514848 | .07800427 |
| 5 | 5d | 3.751726 | -.01976708 |
| 6 | 4d | 6.995113 | .00546821 |
| 7 | 5d | 11.632212 | .00016979 |
| 8 | 3d | 9.628254 | .00110280 |
| ORB.ENERGY,a.u. | -.331110 | ||
| NORM | 1.000009 | < R > | 8.279431 | < R2 > | 78.063684 | < 1/R > | .172055 | < 1/R**2 > | .065702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.681540 | 1.26492358 |
| 2 | 3p | 4.380495 | -.34124431 |
| 3 | 2p | 9.192777 | .07000544 |
| 4 | 4p | 10.552484 | .01795962 |
| 5 | 5p | 3.086244 | .00102874 |
| 6 | 5p | 64.612687 | .00001471 |
| ORB.ENERGY,a.u. | -4.932100 | ||
| NORM | 1.000000 | < R > | .603744 | < R2 > | .451618 | < 1/R > | 2.151643 | < 1/R**2 > | 6.463495 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.827729 | .34977219 |
| 2 | 2s | 4.734567 | -.83261094 |
| 3 | 3s | 4.112402 | -.29415902 |
| 4 | 4s | 14.909437 | .00970167 |
| 5 | 3s | 16.217404 | .00504943 |
| 6 | 5s | 30.018750 | .00041608 |
| 7 | 5s | 4.002855 | -.00311485 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648721 | < R2 > | .498565 | < 1/R > | 2.239238 | < 1/R**2 > | 20.568018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829313 |
| 2 | 1s | 16.928169 | .07951181 |
| 3 | 2s | 6.355644 | .01948210 |
| 4 | 3s | 7.909509 | -.02013286 |
| 5 | 4s | 10.067100 | .00976474 |
| 6 | 5s | 28.451050 | .00098604 |
| 7 | 4s | 64.427337 | -.00005094 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.611014 | < 1/R**2 > | 272.312254 |
Total Energy= -192.31378791 a.u.
Kinetic Energy= 192.31406934 a.u.
Potential Energy= -384.62785725 a.u.
Virial Ratio = -1.99999854