(1s 2 2s 2 2p 5 3p 1 ) 1 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3.257818 | .33022278 |
| 2 | 3p | 1.351205 | -1.02276196 |
| 3 | 4p | 5.012895 | -.07417726 |
| 4 | 2p | 9.203277 | .02412823 |
| 5 | 5p | 13.702737 | .00525009 |
| 6 | 5p | 1.291889 | -.03203560 |
| 7 | 4p | 19.406157 | .00133624 |
| 8 | 5p | 53.230444 | .00003615 |
| 9 | 3p | 52.056974 | .00001665 |
| ORB.ENERGY,a.u. | -.758990 | ||
| NORM | 1.000000 | < R > | 2.706252 | < R2 > | 8.367935 | < 1/R > | .477344 | < 1/R**2 > | .492915 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.315142 | 1.35497440 |
| 2 | 3p | 3.968607 | -.45459336 |
| 3 | 2p | 8.592540 | .09569113 |
| 4 | 3p | 16.081685 | .00009251 |
| 5 | 5p | 2.372922 | .02127506 |
| 6 | 4p | 9.976803 | .02182468 |
| 7 | 4p | 2.079631 | -.02308552 |
| 8 | 5p | 31.610743 | -.00010621 |
| ORB.ENERGY,a.u. | -3.435800 | ||
| NORM | 1.000000 | < R > | .641172 | < R2 > | .515216 | < 1/R > | 2.051589 | < 1/R**2 > | 5.952696 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.898500 | .33492009 |
| 2 | 2s | 4.630264 | -.82381632 |
| 3 | 3s | 3.828616 | -.30158992 |
| 4 | 4s | 15.970300 | .00532571 |
| 5 | 3s | 14.178828 | .00680910 |
| 6 | 5s | 33.580162 | .00019216 |
| 7 | 5s | 2.692498 | -.00159642 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .670373 | < R2 > | .535403 | < 1/R > | 2.167773 | < 1/R**2 > | 19.362258 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192885 | .90716497 |
| 2 | 1s | 16.607737 | .09138243 |
| 3 | 2s | 6.091360 | .01905855 |
| 4 | 3s | 7.725785 | -.02092919 |
| 5 | 4s | 9.871307 | .01076310 |
| 6 | 5s | 28.529504 | .00100945 |
| 7 | 4s | 67.544584 | -.00004853 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130505 | < R2 > | .022915 | < 1/R > | 11.602629 | < 1/R**2 > | 272.012921 |
Total Energy= -196.70691537 a.u.
Kinetic Energy= 196.69936403 a.u.
Potential Energy= -393.40627940 a.u.
Virial Ratio = -2.00003839