(1s 2 2s 2 2p 2 ) 1 S Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 4.443120 | 1.10820682 |
| 2 | 3p | 5.874311 | -.15045404 |
| 3 | 2p | 9.739112 | .03488017 |
| 4 | 5p | 12.779136 | .00481845 |
| 5 | 4p | 24.292627 | -.00080585 |
| 6 | 5p | 4.610670 | .02730871 |
| 7 | 5p | 72.441466 | -.00002178 |
| 8 | 4p | 4.160447 | -.00542678 |
| ORB.ENERGY,a.u. | -7.798700 | ||
| NORM | 1.000000 | < R > | .554283 | < R2 > | .376311 | < 1/R > | 2.313424 | < 1/R**2 > | 7.365626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.441942 | .34095748 |
| 2 | 2s | 4.289386 | -.81478675 |
| 3 | 3s | 5.827492 | -.27888560 |
| 4 | 4s | 22.764613 | .00123398 |
| 5 | 5s | 12.882917 | -.01205853 |
| 6 | 5s | 7.347085 | .03357539 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .609234 | < R2 > | .436189 | < 1/R > | 2.388900 | < 1/R**2 > | 23.209583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.132922 | .94071946 |
| 2 | 1s | 18.366328 | .06747104 |
| 3 | 2s | 10.350503 | .01770391 |
| 4 | 3s | 17.702583 | -.01067966 |
| 5 | 4s | 14.863674 | -.01424368 |
| 6 | 5s | 29.606891 | .00079243 |
| 7 | 5s | 8.084919 | .00044074 |
| 8 | 3s | 45.110770 | -.00008991 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129900 | < R2 > | .022652 | < 1/R > | 11.635921 | < 1/R**2 > | 273.208765 |
Total Energy= -179.99453269 a.u.
Kinetic Energy= 179.52920837 a.u.
Potential Energy= -359.52374106 a.u.
Virial Ratio = -2.00259191