(1s 2 2s 2 2p 5 4d 1 ) 1 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | .804450 | 1.68007095 |
| 2 | 4d | .748866 | -2.17947066 |
| 3 | 3d | 5.145810 | .00320282 |
| 4 | 4d | 1.909336 | .00354358 |
| 5 | 5d | 11.237459 | -.00010599 |
| ORB.ENERGY,a.u. | -.282650 | ||
| NORM | .999998 | < R > | 6.962974 | < R2 > | 55.425691 | < 1/R > | .188874 | < 1/R**2 > | .057532 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.323095 | 1.33679303 |
| 2 | 3p | 3.981222 | -.43710559 |
| 3 | 2p | 8.595532 | .09702735 |
| 4 | 4p | 9.854462 | .02428784 |
| 5 | 5p | 19.113301 | .00043589 |
| 6 | 5p | 2.580791 | .00159345 |
| 7 | 4p | 43.354031 | .00002874 |
| 8 | 4p | 3.187588 | -.00723271 |
| ORB.ENERGY,a.u. | -3.710800 | ||
| NORM | 1.000000 | < R > | .639770 | < R2 > | .512540 | < 1/R > | 2.054778 | < 1/R**2 > | 5.968295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891899 | .33579021 |
| 2 | 2s | 4.636017 | -.82503499 |
| 3 | 3s | 3.826494 | -.30269641 |
| 4 | 4s | 15.728727 | .00598166 |
| 5 | 3s | 14.498794 | .00633414 |
| 6 | 5s | 33.240457 | .00022248 |
| 7 | 5s | 2.740625 | -.00117724 |
| 8 | 4s | 3.038640 | .00226487 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669181 | < R2 > | .533217 | < 1/R > | 2.171287 | < 1/R**2 > | 19.419667 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90715924 |
| 2 | 1s | 16.607298 | .09138253 |
| 3 | 2s | 6.094758 | .01901922 |
| 4 | 3s | 7.737277 | -.02089742 |
| 5 | 4s | 9.891128 | .01071939 |
| 6 | 5s | 28.743853 | .00103210 |
| 7 | 4s | 67.737023 | -.00004211 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130494 | < R2 > | .022911 | < 1/R > | 11.603266 | < 1/R**2 > | 272.036134 |
Total Energy= -196.22872970 a.u.
Kinetic Energy= 196.22310642 a.u.
Potential Energy= -392.45183611 a.u.
Virial Ratio = -2.00002866