(1s 2 2s 2 2p 5 3p 1 ) 1 S Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 2.333618 | .26001287 |
| 2 | 3p | 1.241391 | -1.09752408 |
| 3 | 4p | 4.560307 | -.02195333 |
| 4 | 2p | 7.271123 | .02786839 |
| 5 | 5p | 11.606856 | .00133800 |
| 6 | 4p | 25.291183 | -.00018983 |
| 7 | 5p | 74.380597 | -.00000640 |
| 8 | 5p | .629887 | .00084571 |
| ORB.ENERGY,a.u. | -.707420 | ||
| NORM | 1.000000 | < R > | 3.006317 | < R2 > | 10.119883 | < 1/R > | .390915 | < 1/R**2 > | .240606 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.565284 | 1.99947505 |
| 2 | 3p | 4.562762 | -1.27186611 |
| 3 | 4p | 5.401068 | .30847407 |
| 4 | 5p | 4.855732 | -.04530306 |
| 5 | 4p | 1.262743 | -.02944626 |
| 6 | 3p | 11.633125 | -.01160864 |
| 7 | 5p | 13.617250 | -.00206254 |
| 8 | 5p | 1.256626 | .00741113 |
| 9 | 4p | 20.715575 | -.00057108 |
| ORB.ENERGY,a.u. | -3.384200 | ||
| NORM | 1.000000 | < R > | .636507 | < R2 > | .507040 | < 1/R > | 2.060049 | < 1/R**2 > | 5.988868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.893710 | .33552123 |
| 2 | 2s | 4.633483 | -.82409568 |
| 3 | 3s | 3.824339 | -.30357645 |
| 4 | 4s | 22.128503 | .00237913 |
| 5 | 3s | 14.806732 | .00505367 |
| 6 | 5s | 17.641044 | .00497552 |
| 7 | 5s | 2.779098 | -.00132333 |
| 8 | 4s | 3.127645 | .00285714 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669480 | < R2 > | .533707 | < 1/R > | 2.170218 | < 1/R**2 > | 19.401147 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193295 | .90716010 |
| 2 | 1s | 16.607298 | .09138374 |
| 3 | 2s | 6.091011 | .01903477 |
| 4 | 3s | 7.732504 | -.02091018 |
| 5 | 4s | 9.884704 | .01073376 |
| 6 | 5s | 28.696725 | .00102636 |
| 7 | 4s | 67.683988 | -.00004358 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130497 | < R2 > | .022912 | < 1/R > | 11.603099 | < 1/R**2 > | 272.030217 |
Total Energy= -196.67947476 a.u.
Kinetic Energy= 196.62218849 a.u.
Potential Energy= -393.30166325 a.u.
Virial Ratio = -2.00029135