(1s 2 2s 2 2p 6 5p 1 ) 2 P Mg +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 6.597912 | .02252093 |
| 2 | 2p | 3.001297 | .05746752 |
| 3 | 3p | .968354 | -.56337486 |
| 4 | 4p | .493589 | 3.42295538 |
| 5 | 5p | .492627 | -3.52344705 |
| 6 | 5p | 9.084603 | .00295265 |
| 7 | 4p | 23.209716 | -.00012426 |
| 8 | 3p | .308523 | -.11084489 |
| 9 | 2p | 1.488959 | -.00499069 |
| 10 | 3p | 27.528803 | -.00001023 |
| ORB.ENERGY,a.u. | -.107650 | ||
| NORM | .999995 | < R > | 13.492846 | < R2 > | 205.054151 | < 1/R > | .104077 | < 1/R**2 > | .041829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.625777 | .49873060 |
| 2 | 3p | 4.236563 | .45605060 |
| 3 | 4p | 3.352803 | .14705772 |
| 4 | 5p | 2.680154 | .00490218 |
| 5 | 2p | 11.237662 | .01822232 |
| 6 | 5p | 15.170793 | .00241245 |
| 7 | 4p | 68.589000 | .00000511 |
| 8 | 3p | 143.467668 | .00000044 |
| ORB.ENERGY,a.u. | -2.461100 | ||
| NORM | 1.000000 | < R > | .681062 | < R2 > | .588821 | < 1/R > | 1.958448 | < 1/R**2 > | 5.499746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.524219 | .29691268 |
| 2 | 2s | 4.686936 | -.76563470 |
| 3 | 3s | 3.757333 | -.35759328 |
| 4 | 4s | 14.885911 | .02542014 |
| 5 | 3s | 22.111115 | .01434046 |
| 6 | 4s | 2.476460 | -.01704687 |
| 7 | 5s | 23.397622 | .00438990 |
| 8 | 5s | 2.581193 | .00845859 |
| 9 | 2s | 33.553594 | .00161121 |
| ORB.ENERGY,a.u. | -3.955800 | ||
| NORM | 1.000000 | < R > | .690471 | < R2 > | .571130 | < 1/R > | 2.106897 | < 1/R**2 > | 18.364951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.589211 | 1.01743418 |
| 2 | 2s | 16.674516 | -.02556614 |
| 3 | 3s | 7.766175 | .02481404 |
| 4 | 4s | 41.847710 | -.00028446 |
| 5 | 4s | 9.127778 | .00231164 |
| 6 | 5s | 9.851530 | -.01176508 |
| 7 | 2s | 98.950734 | .00000560 |
| 8 | 3s | 3.581266 | .00217406 |
| 9 | 2s | 3.082483 | -.00273615 |
| 10 | 5s | 91.800745 | -.00001102 |
| ORB.ENERGY,a.u. | -48.571000 |
| NORM | 1.000000 | < R > | .130598 | < R2 > | .022958 | < 1/R > | 11.597775 | < 1/R**2 > | 271.841949 |
Total Energy= -198.93845649 a.u.
Kinetic Energy= 198.93845672 a.u.
Potential Energy= -397.87691320 a.u.
Virial Ratio = -2.00000000