(1s 2 2s 2 2p 5 3d 1 ) 1 F Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 1.068818 | .92368160 |
| 2 | 3d | 2.978749 | .06834868 |
| 3 | 4d | 3.699467 | -.03267672 |
| 4 | 5d | 13.591093 | .00025012 |
| 5 | 5d | 1.107884 | .07408214 |
| 6 | 4d | 24.748313 | .00003891 |
| ORB.ENERGY,a.u. | -.513790 | ||
| NORM | 1.000000 | < R > | 3.335102 | < R2 > | 12.832231 | < 1/R > | .355817 | < 1/R**2 > | .157058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.310809 | 1.36197614 |
| 2 | 3p | 3.980242 | -.45283858 |
| 3 | 2p | 8.609157 | .09528125 |
| 4 | 5p | 2.660893 | .00564987 |
| 5 | 4p | 9.949679 | .02266832 |
| 6 | 3p | 14.003732 | .00027936 |
| 7 | 3p | 2.625316 | -.01753388 |
| 8 | 5p | 31.810034 | -.00010888 |
| ORB.ENERGY,a.u. | -3.520900 | ||
| NORM | 1.000000 | < R > | .640562 | < R2 > | .514236 | < 1/R > | 2.053395 | < 1/R**2 > | 5.962367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891833 | .33573760 |
| 2 | 2s | 4.636824 | -.82452180 |
| 3 | 3s | 3.832776 | -.30180708 |
| 4 | 4s | 15.861101 | .00560897 |
| 5 | 3s | 14.263680 | .00666882 |
| 6 | 5s | 33.593265 | .00021019 |
| 7 | 5s | 2.477592 | -.00077293 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669397 | < R2 > | .533677 | < 1/R > | 2.170846 | < 1/R**2 > | 19.413438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716275 |
| 2 | 1s | 16.608108 | .09137842 |
| 3 | 2s | 6.096639 | .01900978 |
| 4 | 3s | 7.739442 | -.02089174 |
| 5 | 4s | 9.893149 | .01071476 |
| 6 | 5s | 28.803432 | .00103491 |
| 7 | 4s | 67.678778 | -.00004022 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130492 | < R2 > | .022910 | < 1/R > | 11.603354 | < 1/R**2 > | 272.039354 |
Total Energy= -196.45664315 a.u.
Kinetic Energy= 196.45430124 a.u.
Potential Energy= -392.91094439 a.u.
Virial Ratio = -2.00001192