(1s 1 3s 1 ) 1 S Mg 10+
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 | 4.734352 | .36588690 |
| 2 | 2s | 4.646207 | -1.01947310 |
| 3 | 3s | 3.623495 | 1.92510742 |
| 4 | 4s | 7.917373 | -.39655351 |
| 5 | 5s | 6.289394 | -.30762658 |
| 6 | 5s | 15.249779 | -.00856352 |
| 7 | 3s | 10.014465 | -.09880725 |
| 8 | 4s | 2.164321 | -.00082444 |
| 9 | 4s | 69.259374 | -.00000868 |
| ORB.ENERGY,a.u. | -7.017600 | ||
| NORM | 1.000000 | < R > | 1.197913 | < R2 > | 1.629754 | < 1/R > | 1.104064 | < 1/R**2 > | 3.547729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.058291 | 1.00407006 |
| 2 | 2s | 3.162087 | .23724084 |
| 3 | 3s | 5.764654 | -.33675634 |
| 4 | 4s | 8.355262 | .06964639 |
| 5 | 5s | 7.431256 | .05957381 |
| 6 | 4s | 2.336343 | -.00091947 |
| 7 | 5s | 21.043716 | -.00017188 |
| ORB.ENERGY,a.u. | -71.018000 |
| NORM | 1.000000 | < R > | .128566 | < R2 > | .029818 | < 1/R > | 12.131592 | < 1/R**2 > | 293.603153 |
Total Energy= -78.89678450 a.u.
Kinetic Energy= 78.86768595 a.u.
Potential Energy= -157.76447046 a.u.
Virial Ratio = -2.00036895