(1s 2 2s 2 2p 6 3s 2 ) 1 S Mg 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | .415646 | 1.11817591 |
| 2 | 1s | 10.151956 | .05114272 |
| 3 | 2s | 4.581668 | -.25049512 |
| 4 | 3s | 3.291174 | -.21518430 |
| 5 | 4s | 1.551116 | .17330861 |
| 6 | 5s | 20.949566 | .00112303 |
| 7 | 5s | .794040 | -.14127752 |
| 8 | 3s | .471761 | -.13282991 |
| 9 | 4s | 28.828094 | .00032752 |
| ORB.ENERGY,a.u. | -.243170 | ||
| NORM | 1.000000 | < R > | 3.252951 | < R2 > | 12.418692 | < 1/R > | .399387 | < 1/R**2 > | .788450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.306425 | .57290576 |
| 2 | 3p | 4.153950 | .36269352 |
| 3 | 4p | 3.834486 | .13453832 |
| 4 | 5p | 3.221460 | .05060915 |
| 5 | 2p | 12.030131 | .01561155 |
| 6 | 5p | 9.575757 | -.01344582 |
| 7 | 4p | 46.147028 | .00002479 |
| 8 | 3p | 1.441229 | .00407465 |
| 9 | 3p | 72.274580 | .00000251 |
| ORB.ENERGY,a.u. | -2.072600 | ||
| NORM | 1.000000 | < R > | .684998 | < R2 > | .597695 | < 1/R > | 1.951690 | < 1/R**2 > | 5.469805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.065462 | .31760577 |
| 2 | 2s | 4.649281 | -.78023553 |
| 3 | 3s | 3.719810 | -.33834881 |
| 4 | 4s | 15.902501 | .01431644 |
| 5 | 3s | 26.109890 | .00329192 |
| 6 | 2s | 1.413457 | -.01927985 |
| 7 | 5s | 27.573143 | .00196275 |
| 8 | 4s | 1.783543 | .00866141 |
| 9 | 2s | 46.517936 | .00016567 |
| ORB.ENERGY,a.u. | -3.594900 | ||
| NORM | 1.000000 | < R > | .690335 | < R2 > | .571084 | < 1/R > | 2.107821 | < 1/R**2 > | 18.382362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.601827 | 1.01578437 |
| 2 | 2s | 17.844352 | -.02478876 |
| 3 | 3s | 7.503309 | .02082345 |
| 4 | 4s | 18.427783 | -.00522965 |
| 5 | 3s | 13.248157 | .00742041 |
| 6 | 2s | 33.011328 | .00090399 |
| 7 | 5s | 9.407848 | -.00879123 |
| 8 | 4s | 3.715018 | .00013279 |
| 9 | 5s | 57.626192 | .00000344 |
| ORB.ENERGY,a.u. | -48.182000 |
| NORM | 1.000000 | < R > | .130594 | < R2 > | .022956 | < 1/R > | 11.597954 | < 1/R**2 > | 271.847142 |
Total Energy= -199.61463693 a.u.
Kinetic Energy= 199.61464013 a.u.
Potential Energy= -399.22927707 a.u.
Virial Ratio = -1.99999998