(1s 2 2s 1 4s 1 ) 3 S Mg 8+
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 | 9.100031 | .14423648 |
| 2 | 2s | 2.697041 | -1.66392090 |
| 3 | 3s | 2.414509 | 4.78477532 |
| 4 | 4s | 2.355386 | -3.98142500 |
| 5 | 5s | 4.145129 | .15217059 |
| 6 | 4s | 7.861211 | -.05172102 |
| 7 | 5s | 23.572902 | .00114373 |
| 8 | 4s | 32.668383 | .00019364 |
| ORB.ENERGY,a.u. | -2.746500 | ||
| NORM | 1.000001 | < R > | 2.468421 | < R2 > | 6.842848 | < 1/R > | .589343 | < 1/R**2 > | 2.744575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.967764 | .40380321 |
| 2 | 2s | 5.030595 | -.78622834 |
| 3 | 3s | 6.002526 | -.30194057 |
| 4 | 5s | 10.485799 | -.03060112 |
| 5 | 4s | 21.179717 | .00743586 |
| 6 | 5s | 28.011047 | -.00193054 |
| 7 | 4s | 73.958142 | .00002503 |
| ORB.ENERGY,a.u. | -13.006000 | ||
| NORM | 1.000000 | < R > | .559256 | < R2 > | .364824 | < 1/R > | 2.626670 | < 1/R**2 > | 27.847170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.424030 | .93754835 |
| 2 | 1s | 18.528619 | .05235389 |
| 3 | 2s | 14.064890 | .01461919 |
| 4 | 3s | 8.390027 | .00212625 |
| 5 | 4s | 47.478038 | -.00058455 |
| 6 | 5s | 63.074887 | .00021424 |
| 7 | 5s | 1.898747 | .00019832 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129260 | < R2 > | .022387 | < 1/R > | 11.674338 | < 1/R**2 > | 274.636999 |
Total Energy= -152.81698940 a.u.
Kinetic Energy= 152.82777292 a.u.
Potential Energy= -305.64476231 a.u.
Virial Ratio = -1.99992944