(1s 2 2s 2 2p 3 4s 1 ) 3 S Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 10.313333 | .07054379 |
| 2 | 2s | 2.043044 | -1.15318827 |
| 3 | 3s | 2.043071 | 2.43699405 |
| 4 | 4s | 1.430890 | -1.68113324 |
| 5 | 5s | 3.015916 | -.21362432 |
| 6 | 4s | 10.242615 | -.02690311 |
| 7 | 5s | 12.855087 | .00686412 |
| 8 | 5s | 38.892717 | -.00017308 |
| 9 | 5s | 1.180781 | .01338239 |
| 10 | 4s | 58.582569 | -.00004015 |
| ORB.ENERGY,a.u. | -1.032000 | ||
| NORM | 1.000001 | < R > | 3.660672 | < R2 > | 15.038600 | < 1/R > | .375542 | < 1/R**2 > | 1.026084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.268872 | 1.42951012 |
| 2 | 3p | 5.542324 | -.54878147 |
| 3 | 4p | 6.881906 | .11283055 |
| 4 | 5p | 21.620549 | -.00273405 |
| 5 | 4p | 2.778765 | .01179831 |
| 6 | 4p | 30.358771 | -.00091229 |
| 7 | 5p | 2.649148 | -.00681639 |
| 8 | 3p | 1.712802 | .00255831 |
| 9 | 5p | 97.750010 | -.00001577 |
| ORB.ENERGY,a.u. | -6.477700 | ||
| NORM | 1.000000 | < R > | .570263 | < R2 > | .399015 | < 1/R > | 2.252873 | < 1/R**2 > | 7.002358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.938881 | .35563514 |
| 2 | 2s | 4.646350 | -.87899167 |
| 3 | 3s | 4.406294 | -.29837956 |
| 4 | 4s | 5.439444 | .06109064 |
| 5 | 3s | 13.230584 | .01742867 |
| 6 | 5s | 1.642491 | -.01543699 |
| 7 | 2s | 35.194317 | .00015541 |
| 8 | 3s | 1.480940 | .00987829 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .627943 | < R2 > | .465674 | < 1/R > | 2.314867 | < 1/R**2 > | 21.883280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.167545 | .91164911 |
| 2 | 1s | 17.080471 | .08762932 |
| 3 | 2s | 9.724465 | .01797108 |
| 4 | 3s | 13.704380 | -.01496253 |
| 5 | 4s | 21.291863 | .00314066 |
| 6 | 5s | 36.435971 | .00027900 |
| 7 | 5s | 8.465280 | .00087341 |
| 8 | 4s | 1.280085 | .00352453 |
| 9 | 3s | 1.061950 | -.00309736 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130178 | < R2 > | .022776 | < 1/R > | 11.620464 | < 1/R**2 > | 272.650296 |
Total Energy= -187.90355709 a.u.
Kinetic Energy= 187.89137807 a.u.
Potential Energy= -375.79493516 a.u.
Virial Ratio = -2.00006482