(1s 2 2s 2 2p 1 4p 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4.896546 | .20364063 |
| 2 | 3p | 2.167596 | -.89155188 |
| 3 | 5p | 2.068726 | 1.29466242 |
| 4 | 4p | 3.107967 | -.25028647 |
| 5 | 5p | 6.002310 | .04599390 |
| 6 | 4p | 14.037725 | -.00374162 |
| 7 | 5p | 1.777069 | .21318131 |
| 8 | 5p | 31.719603 | -.00043364 |
| 9 | 4p | 48.402061 | -.00008521 |
| ORB.ENERGY,a.u. | -1.708000 | ||
| NORM | 1.000000 | < R > | 2.939363 | < R2 > | 9.747364 | < 1/R > | .437241 | < 1/R**2 > | .370439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 26.829606 | .00014011 |
| 2 | 2p | 4.844160 | 1.04911319 |
| 3 | 3p | 2.619100 | -.12281438 |
| 4 | 2p | 14.648824 | .00937085 |
| 5 | 5p | 5.254473 | .04652059 |
| 6 | 4p | 8.501900 | -.03444188 |
| 7 | 5p | 1.982602 | .13717234 |
| ORB.ENERGY,a.u. | -9.336400 | ||
| NORM | 1.000000 | < R > | .530737 | < R2 > | .410344 | < 1/R > | 2.473340 | < 1/R**2 > | 8.311089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525965 | .34682144 |
| 2 | 2s | 4.277878 | -.79741384 |
| 3 | 3s | 6.416652 | -.27756680 |
| 4 | 4s | 22.454664 | .00169500 |
| 5 | 5s | 12.526761 | -.01338678 |
| 6 | 5s | 4.785704 | .01828429 |
| 7 | 4s | 2.050767 | .00035814 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592850 | < R2 > | .411900 | < 1/R > | 2.458738 | < 1/R**2 > | 24.488411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194146 | .92260195 |
| 2 | 1s | 17.378971 | .07929737 |
| 3 | 2s | 9.735983 | .01714430 |
| 4 | 3s | 12.455390 | -.01614480 |
| 5 | 4s | 60.236090 | -.00007211 |
| 6 | 5s | 27.696765 | .00098007 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129642 | < R2 > | .022541 | < 1/R > | 11.650482 | < 1/R**2 > | 273.736105 |
Total Energy= -173.43735583 a.u.
Kinetic Energy= 173.44007574 a.u.
Potential Energy= -346.87743157 a.u.
Virial Ratio = -1.99998432