(1s 2 2s 2 2p 2 5s 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 9.753188 | .06300946 |
| 2 | 2s | 3.183094 | -.41292974 |
| 3 | 3s | 1.752009 | 2.29819033 |
| 4 | 4s | 1.465779 | -4.80007286 |
| 5 | 5s | 1.309200 | 3.44969253 |
| 6 | 5s | 12.204176 | -.00427206 |
| 7 | 4s | 25.362051 | .00018153 |
| ORB.ENERGY,a.u. | -.853110 | ||
| NORM | .999996 | < R > | 5.291644 | < R2 > | 31.332321 | < 1/R > | .268283 | < 1/R**2 > | .677086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.345090 | 1.19653708 |
| 2 | 3p | 5.220678 | -.22053147 |
| 3 | 2p | 11.801128 | .02080768 |
| 4 | 4p | 13.987744 | .00759349 |
| 5 | 5p | 20.506528 | -.00161951 |
| 6 | 5p | 3.030528 | .00056249 |
| 7 | 4p | 56.871275 | .00002804 |
| ORB.ENERGY,a.u. | -8.000800 | ||
| NORM | 1.000000 | < R > | .544877 | < R2 > | .362128 | < 1/R > | 2.341688 | < 1/R**2 > | 7.506795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.628156 | .38491659 |
| 2 | 2s | 4.989051 | -.84992831 |
| 3 | 3s | 4.954618 | -.26963813 |
| 4 | 4s | 20.157591 | .00251280 |
| 5 | 3s | 11.001867 | .02439312 |
| 6 | 5s | 5.255103 | -.03630776 |
| 7 | 4s | 1.317529 | -.02630600 |
| 8 | 3s | .676754 | .05184858 |
| 9 | 5s | .842590 | -.02955968 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .609559 | < R2 > | .437136 | < 1/R > | 2.387843 | < 1/R**2 > | 23.191218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156073 | .91173905 |
| 2 | 1s | 17.177995 | .08817231 |
| 3 | 2s | 10.297038 | .01905261 |
| 4 | 3s | 13.068136 | -.01555955 |
| 5 | 5s | 28.474338 | .00118781 |
| 6 | 4s | 68.396615 | -.00004189 |
| 7 | 5s | 9.037951 | .00072430 |
| 8 | 3s | 1.050266 | -.00307503 |
| 9 | 4s | 1.435782 | .00302009 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129924 | < R2 > | .022666 | < 1/R > | 11.634575 | < 1/R**2 > | 273.159517 |
Total Energy= -180.85777274 a.u.
Kinetic Energy= 180.85214757 a.u.
Potential Energy= -361.70992030 a.u.
Virial Ratio = -2.00003110