(1s 2 2s 2 2p 3 5s 1 ) 3 S Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 10.096047 | .05031524 |
| 2 | 2s | 3.217013 | -.29007251 |
| 3 | 3s | 1.492210 | 2.20249949 |
| 4 | 4s | 1.352917 | -3.95338543 |
| 5 | 5s | 1.105243 | 2.56098614 |
| 6 | 4s | 10.205721 | -.00851561 |
| 7 | 5s | 18.230012 | .00014920 |
| 8 | 4s | .713640 | -.01474927 |
| ORB.ENERGY,a.u. | -.621570 | ||
| NORM | .999998 | < R > | 6.054308 | < R2 > | 41.020021 | < 1/R > | .231801 | < 1/R**2 > | .489666 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.281961 | 1.42305035 |
| 2 | 3p | 5.535577 | -.53381019 |
| 3 | 4p | 6.803297 | .10485822 |
| 4 | 5p | 24.711783 | -.00034054 |
| 5 | 4p | 2.572068 | .03011369 |
| 6 | 3p | 13.382716 | -.00544275 |
| 7 | 5p | 2.803766 | -.02122996 |
| ORB.ENERGY,a.u. | -6.621700 | ||
| NORM | 1.000000 | < R > | .569790 | < R2 > | .398306 | < 1/R > | 2.254445 | < 1/R**2 > | 7.011080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.587223 | .32316520 |
| 2 | 2s | 4.075417 | -.78086895 |
| 3 | 3s | 6.749982 | -.24793131 |
| 4 | 4s | 19.062459 | .00359597 |
| 5 | 5s | 6.090743 | -.04909159 |
| 6 | 4s | 1.068305 | .02783604 |
| 7 | 5s | 1.461443 | -.02727310 |
| 8 | 2s | 22.793731 | -.00044003 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .628603 | < R2 > | .466951 | < 1/R > | 2.312574 | < 1/R**2 > | 21.843930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.169015 | .91139321 |
| 2 | 1s | 17.088753 | .08762057 |
| 3 | 2s | 9.965842 | .01771362 |
| 4 | 3s | 13.961120 | -.01483214 |
| 5 | 4s | 21.903602 | .00355217 |
| 6 | 5s | 41.278830 | .00011990 |
| 7 | 5s | 9.695898 | .00063523 |
| 8 | 4s | 3.036904 | -.00362944 |
| 9 | 3s | 2.402331 | .00383100 |
| 10 | 5s | .730064 | -.00036036 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130171 | < R2 > | .022776 | < 1/R > | 11.620817 | < 1/R**2 > | 272.663285 |
Total Energy= -187.48707028 a.u.
Kinetic Energy= 187.48150948 a.u.
Potential Energy= -374.96857976 a.u.
Virial Ratio = -2.00002966