(1s 2 2s 2 2p 6 3s 1 5p 1 ) 3 P Mg 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | .676681 | .25613159 |
| 2 | 2p | 7.961960 | .00473324 |
| 3 | 2p | 4.089118 | .02362540 |
| 4 | 3p | 1.370885 | -.13799513 |
| 5 | 4p | .387579 | 1.03490698 |
| 6 | 5p | .271589 | -1.40761063 |
| 7 | 3p | .791428 | -.41912632 |
| 8 | 5p | 12.346894 | .00054874 |
| ORB.ENERGY,a.u. | -.033038 | ||
| NORM | 1.000003 | < R > | 21.961257 | < R2 > | 541.724066 | < 1/R > | .061626 | < 1/R**2 > | .013673 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .232341 | .00078718 |
| 2 | 1s | 4.238367 | .17353115 |
| 3 | 1s | 13.194231 | .01651461 |
| 4 | 2s | 4.942390 | -.34604593 |
| 5 | 3s | 1.168911 | .80734204 |
| 6 | 4s | 1.996304 | .22567484 |
| 7 | 5s | 5.396753 | -.05428403 |
| 8 | 4s | 41.531242 | -.00006908 |
| 9 | 3s | 22.629517 | .00019800 |
| ORB.ENERGY,a.u. | -.243170 | ||
| NORM | 1.000000 | < R > | 2.844230 | < R2 > | 9.273669 | < 1/R > | .454571 | < 1/R**2 > | 1.068249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.303814 | .57440735 |
| 2 | 3p | 4.154278 | .36148722 |
| 3 | 4p | 3.842128 | .13398782 |
| 4 | 5p | 3.255023 | .04985483 |
| 5 | 2p | 12.057135 | .01557211 |
| 6 | 5p | 9.584507 | -.01354713 |
| 7 | 4p | 50.112451 | .00001689 |
| 8 | 3p | 1.648160 | .00342441 |
| ORB.ENERGY,a.u. | -2.072600 | ||
| NORM | 1.000000 | < R > | .683654 | < R2 > | .594588 | < 1/R > | 1.953924 | < 1/R**2 > | 5.479616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.367500 | .30372227 |
| 2 | 2s | 4.712221 | -.74624928 |
| 3 | 3s | 3.811782 | -.32887587 |
| 4 | 4s | 14.995405 | .02205291 |
| 5 | 3s | 22.609917 | .01087856 |
| 6 | 2s | 2.508299 | -.05461342 |
| 7 | 5s | 23.913602 | .00378974 |
| 8 | 5s | 1.388027 | -.00030860 |
| 9 | 2s | 35.246443 | .00106534 |
| ORB.ENERGY,a.u. | -3.594900 | ||
| NORM | 1.000000 | < R > | .690604 | < R2 > | .571606 | < 1/R > | 2.107078 | < 1/R**2 > | 18.370421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.601791 | 1.01578591 |
| 2 | 2s | 17.845795 | -.02479181 |
| 3 | 3s | 7.501725 | .02083078 |
| 4 | 4s | 18.438188 | -.00522821 |
| 5 | 3s | 13.249721 | .00742000 |
| 6 | 2s | 33.006136 | .00090566 |
| 7 | 5s | 9.405078 | -.00879604 |
| 8 | 4s | 3.780159 | .00013123 |
| 9 | 5s | 58.906639 | .00000325 |
| ORB.ENERGY,a.u. | -48.182000 |
| NORM | 1.000000 | < R > | .130596 | < R2 > | .022957 | < 1/R > | 11.597891 | < 1/R**2 > | 271.845276 |
Total Energy= -199.40406938 a.u.
Kinetic Energy= 199.40484000 a.u.
Potential Energy= -398.80890938 a.u.
Virial Ratio = -1.99999614