(1s 2 2s 2 2p 4 3p 1 ) 4 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 2p | 3.790832 | .27489397 |
| 2 | 3p | 1.582011 | -.80898259 |
| 3 | 4p | 2.232420 | -.24659175 |
| 4 | 2p | 7.250005 | .06661137 |
| 5 | 5p | 10.348289 | .00589889 |
| 6 | 5p | 27.075935 | -.00047709 |
| 7 | 4p | 40.653601 | -.00009251 |
| 8 | 5p | 1.460411 | .00773997 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 2.199467 | < R2 > | 5.530438 | < 1/R > | .603168 | < 1/R**2 > | .795902 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.416341 | 1.32972720 |
| 2 | 3p | 3.937261 | -.44360137 |
| 3 | 2p | 8.661141 | .09970581 |
| 4 | 4p | 9.740124 | .02826669 |
| 5 | 5p | 2.584190 | .00569065 |
| 6 | 5p | 19.087250 | .00103546 |
| 7 | 4p | 2.890216 | -.01454159 |
| 8 | 4p | 35.076168 | .00010043 |
| ORB.ENERGY,a.u. | -4.544900 | ||
| NORM | 1.000000 | < R > | .605894 | < R2 > | .455600 | < 1/R > | 2.146486 | < 1/R**2 > | 6.437722 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.828893 | .34882124 |
| 2 | 2s | 4.729770 | -.83239909 |
| 3 | 3s | 4.089031 | -.29505069 |
| 4 | 4s | 14.763056 | .01030678 |
| 5 | 3s | 16.588865 | .00478367 |
| 6 | 5s | 29.159914 | .00050113 |
| 7 | 5s | 3.378548 | -.00372620 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .650541 | < R2 > | .501760 | < 1/R > | 2.233453 | < 1/R**2 > | 20.471146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247404 | .91814125 |
| 2 | 1s | 16.945881 | .07946759 |
| 3 | 2s | 6.731653 | .01838869 |
| 4 | 3s | 8.398347 | -.01835710 |
| 5 | 4s | 10.492093 | .00943208 |
| 6 | 5s | 28.602618 | .00100306 |
| 7 | 4s | 64.564239 | -.00004794 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130371 | < R2 > | .022856 | < 1/R > | 11.609761 | < 1/R**2 > | 272.266554 |
Total Energy= -193.22314510 a.u.
Kinetic Energy= 193.23774035 a.u.
Potential Energy= -386.46088545 a.u.
Virial Ratio = -1.99992447