(1s 2 2s 2 2p 2 3p 1 ) 4 S Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 2p | 3.193998 | .56009427 |
| 2 | 3p | 2.223427 | -1.29517706 |
| 3 | 2p | 8.838450 | .03052104 |
| 4 | 4p | 5.507191 | -.04051499 |
| 5 | 5p | 13.492752 | .00257084 |
| 6 | 5p | 3.268807 | .01324616 |
| 7 | 4p | 30.945339 | -.00004932 |
| ORB.ENERGY,a.u. | -2.414900 | ||
| NORM | 1.000000 | < R > | 1.771406 | < R2 > | 3.513512 | < 1/R > | .696078 | < 1/R**2 > | .871860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.373276 | 1.45688526 |
| 2 | 3p | 5.609382 | -.50555009 |
| 3 | 2p | 1.532293 | -.10969131 |
| 4 | 4p | 6.923446 | .09773187 |
| 5 | 5p | 26.159777 | -.00029622 |
| 6 | 3p | 1.022137 | .04280076 |
| 7 | 3p | 13.175148 | -.00610933 |
| 8 | 5p | 1.265740 | -.02364407 |
| ORB.ENERGY,a.u. | -7.468400 | ||
| NORM | 1.000000 | < R > | .530989 | < R2 > | .341944 | < 1/R > | 2.381230 | < 1/R**2 > | 7.704318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.770961 | .37464530 |
| 2 | 2s | 4.897789 | -.83304373 |
| 3 | 3s | 5.009196 | -.27147517 |
| 4 | 4s | 19.430910 | .00261129 |
| 5 | 3s | 11.804022 | .01636225 |
| 6 | 5s | 4.869385 | -.03532336 |
| 7 | 5s | 2.964220 | -.00052211 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612515 | < R2 > | .441315 | < 1/R > | 2.376035 | < 1/R**2 > | 22.979115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.154323 | .91203560 |
| 2 | 1s | 17.195572 | .08790128 |
| 3 | 2s | 10.289663 | .01906643 |
| 4 | 3s | 13.104722 | -.01554430 |
| 5 | 5s | 28.328451 | .00116844 |
| 6 | 4s | 67.587298 | -.00004456 |
| 7 | 5s | 9.551949 | .00070521 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129960 | < R2 > | .022677 | < 1/R > | 11.632406 | < 1/R**2 > | 273.080329 |
Total Energy= -182.42329548 a.u.
Kinetic Energy= 182.41380585 a.u.
Potential Energy= -364.83710133 a.u.
Virial Ratio = -2.00005202