(1s 2 2s 2 2p 4 5p 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 3.999083 | .12808387 |
| 2 | 3p | 1.232300 | -1.33299678 |
| 3 | 4p | 1.040185 | 3.25149987 |
| 4 | 5p | .886227 | -2.57947114 |
| 5 | 2p | 7.512229 | .02080243 |
| 6 | 5p | 2.613182 | -.08721451 |
| 7 | 4p | 19.268207 | -.00058450 |
| 8 | 2p | .681086 | -.02738253 |
| 9 | 4p | 1.563763 | .07036910 |
| 10 | 5p | 58.334701 | -.00001816 |
| ORB.ENERGY,a.u. | -.389590 | ||
| NORM | 1.000005 | < R > | 7.489003 | < R2 > | 63.049875 | < 1/R > | .190713 | < 1/R**2 > | .140341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.636500 | 1.24652406 |
| 2 | 3p | 4.270921 | -.33506430 |
| 3 | 2p | 8.907761 | .08154880 |
| 4 | 4p | 10.253981 | .01994351 |
| 5 | 5p | .777167 | .01664571 |
| 6 | 5p | 61.268620 | .00002843 |
| 7 | 4p | .661884 | -.02068921 |
| 8 | 2p | .414160 | .00482893 |
| 9 | 3p | 77.500588 | .00000690 |
| ORB.ENERGY,a.u. | -4.931000 | ||
| NORM | 1.000000 | < R > | .603797 | < R2 > | .451720 | < 1/R > | 2.151432 | < 1/R**2 > | 6.462195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.812146 | .35054175 |
| 2 | 2s | 4.730485 | -.84053962 |
| 3 | 3s | 4.010207 | -.29996688 |
| 4 | 4s | 14.672263 | .01057287 |
| 5 | 3s | 16.516727 | .00497686 |
| 6 | 5s | 28.968225 | .00052297 |
| 7 | 5s | 4.513193 | .01114351 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648812 | < R2 > | .498699 | < 1/R > | 2.238849 | < 1/R**2 > | 20.561077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247932 | .91829723 |
| 2 | 1s | 16.928867 | .07951083 |
| 3 | 2s | 6.353364 | .01949739 |
| 4 | 3s | 7.900888 | -.02015559 |
| 5 | 4s | 10.054116 | .00978966 |
| 6 | 5s | 28.393008 | .00097552 |
| 7 | 4s | 64.306234 | -.00005318 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130354 | < R2 > | .022849 | < 1/R > | 11.610751 | < 1/R**2 > | 272.302579 |
Total Energy= -192.36659020 a.u.
Kinetic Energy= 192.37245864 a.u.
Potential Energy= -384.73904884 a.u.
Virial Ratio = -1.99996949