(1s 2 2s 2 2p 6 3s 1 5s 1 ) 1 S Mg 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 10.028677 | .00502217 |
| 2 | 2s | 4.463276 | -.01338390 |
| 3 | 3s | .946547 | .12045748 |
| 4 | 4s | .506735 | -.85840805 |
| 5 | 5s | .317642 | 1.18501336 |
| 6 | 5s | 5.274380 | -.00791980 |
| 7 | 4s | 8.096480 | -.00321171 |
| 8 | 3s | .223913 | .07900489 |
| 9 | 2s | .855934 | .03322176 |
| ORB.ENERGY,a.u. | -.041883 | ||
| NORM | 1.000002 | < R > | 18.405239 | < R2 > | 377.468185 | < 1/R > | .066152 | < 1/R**2 > | .010494 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .703991 | .88753929 |
| 2 | 1s | 10.451169 | .05363394 |
| 3 | 2s | 4.569529 | -.33986749 |
| 4 | 3s | 3.232042 | -.30577491 |
| 5 | 4s | 1.512842 | .38013500 |
| 6 | 5s | .307306 | .05852890 |
| 7 | 4s | .635333 | -.07273824 |
| 8 | 5s | 22.633062 | .00049848 |
| 9 | 3s | 15.862705 | .00100918 |
| ORB.ENERGY,a.u. | -.243170 | ||
| NORM | 1.000000 | < R > | 2.840079 | < R2 > | 9.910628 | < 1/R > | .459513 | < 1/R**2 > | 1.094749 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.303973 | .57435564 |
| 2 | 3p | 4.154156 | .36151366 |
| 3 | 4p | 3.842295 | .13400003 |
| 4 | 5p | 3.253114 | .04988881 |
| 5 | 2p | 12.056521 | .01557224 |
| 6 | 5p | 9.582998 | -.01353359 |
| 7 | 4p | 50.161534 | .00001682 |
| 8 | 3p | 1.656528 | .00342353 |
| ORB.ENERGY,a.u. | -2.072600 | ||
| NORM | 1.000000 | < R > | .683690 | < R2 > | .594668 | < 1/R > | 1.953864 | < 1/R**2 > | 5.479357 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.367748 | .30372065 |
| 2 | 2s | 4.712257 | -.74624345 |
| 3 | 3s | 3.811997 | -.32886428 |
| 4 | 4s | 14.999518 | .02205232 |
| 5 | 3s | 22.613977 | .01087773 |
| 6 | 2s | 2.508085 | -.05461631 |
| 7 | 5s | 23.911576 | .00378951 |
| 8 | 5s | 1.359808 | -.00033758 |
| 9 | 2s | 35.248930 | .00106556 |
| ORB.ENERGY,a.u. | -3.594900 | ||
| NORM | 1.000000 | < R > | .690586 | < R2 > | .571578 | < 1/R > | 2.107138 | < 1/R**2 > | 18.371445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.601798 | 1.01578566 |
| 2 | 2s | 17.845622 | -.02479141 |
| 3 | 3s | 7.501977 | .02082969 |
| 4 | 4s | 18.437052 | -.00522836 |
| 5 | 3s | 13.249577 | .00742001 |
| 6 | 2s | 33.006640 | .00090548 |
| 7 | 5s | 9.405447 | -.00879542 |
| 8 | 4s | 3.781839 | .00013131 |
| 9 | 5s | 58.883059 | .00000326 |
| ORB.ENERGY,a.u. | -48.182000 |
| NORM | 1.000000 | < R > | .130595 | < R2 > | .022957 | < 1/R > | 11.597901 | < 1/R**2 > | 271.845613 |
Total Energy= -199.41435544 a.u.
Kinetic Energy= 199.40906796 a.u.
Potential Energy= -398.82342340 a.u.
Virial Ratio = -2.00002652