(1s 2 2s 2 2p 6 3s 1 5p 1 ) 1 P Mg 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 3.318380 | .04862202 |
| 2 | 3p | .531990 | -.46072491 |
| 3 | 4p | .302966 | 1.66253605 |
| 4 | 5p | .245276 | -1.86364772 |
| 5 | 2p | 9.497139 | .00232867 |
| 6 | 2p | .870872 | -.06514092 |
| 7 | 4p | 5.534841 | -.01043262 |
| ORB.ENERGY,a.u. | -.028323 | ||
| NORM | 1.000001 | < R > | 25.306180 | < R2 > | 728.873938 | < 1/R > | .058071 | < 1/R**2 > | .012800 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .405552 | .02071079 |
| 2 | 1s | 4.462500 | .15036415 |
| 3 | 1s | 12.778838 | .01936316 |
| 4 | 2s | 4.902545 | -.32861491 |
| 5 | 3s | 1.174671 | .79735482 |
| 6 | 4s | 1.998746 | .21817093 |
| 7 | 5s | 5.318921 | -.05283875 |
| 8 | 4s | 40.203258 | -.00007170 |
| 9 | 3s | 20.190730 | .00030878 |
| 10 | 2s | .105195 | -.00080385 |
| ORB.ENERGY,a.u. | -.243170 | ||
| NORM | 1.000000 | < R > | 2.848465 | < R2 > | 9.314339 | < 1/R > | .454415 | < 1/R**2 > | 1.069355 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.302844 | .57468695 |
| 2 | 3p | 4.151506 | .36160436 |
| 3 | 4p | 3.841191 | .13398244 |
| 4 | 5p | 3.246236 | .05016754 |
| 5 | 2p | 12.056949 | .01557074 |
| 6 | 5p | 9.584454 | -.01352179 |
| 7 | 4p | 50.149293 | .00001684 |
| 8 | 3p | 1.537083 | .00275901 |
| 9 | 4p | .240851 | -.00038184 |
| 10 | 5p | .232037 | .00048258 |
| ORB.ENERGY,a.u. | -2.072600 | ||
| NORM | 1.000000 | < R > | .683660 | < R2 > | .594640 | < 1/R > | 1.953923 | < 1/R**2 > | 5.479626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.367552 | .30371934 |
| 2 | 2s | 4.712226 | -.74624564 |
| 3 | 3s | 3.811781 | -.32887377 |
| 4 | 4s | 14.996453 | .02205234 |
| 5 | 3s | 22.609417 | .01087850 |
| 6 | 2s | 2.508108 | -.05461452 |
| 7 | 5s | 23.913043 | .00378877 |
| 8 | 5s | 1.412935 | -.00035137 |
| 9 | 2s | 35.238444 | .00106593 |
| ORB.ENERGY,a.u. | -3.594900 | ||
| NORM | 1.000000 | < R > | .690611 | < R2 > | .571626 | < 1/R > | 2.107069 | < 1/R**2 > | 18.370331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.601791 | 1.01578603 |
| 2 | 2s | 17.845728 | -.02479191 |
| 3 | 3s | 7.501758 | .02083064 |
| 4 | 4s | 18.437960 | -.00522827 |
| 5 | 3s | 13.249772 | .00741998 |
| 6 | 2s | 33.006306 | .00090561 |
| 7 | 5s | 9.405085 | -.00879605 |
| 8 | 4s | 3.794150 | .00013085 |
| 9 | 5s | 59.022661 | .00000324 |
| ORB.ENERGY,a.u. | -48.182000 |
| NORM | 1.000000 | < R > | .130596 | < R2 > | .022957 | < 1/R > | 11.597892 | < 1/R**2 > | 271.845330 |
Total Energy= -199.40444131 a.u.
Kinetic Energy= 199.40015088 a.u.
Potential Energy= -398.80459219 a.u.
Virial Ratio = -2.00002152