(1s 2 2s 2 2p 5 4s 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 11.483848 | .04430980 |
| 2 | 2s | 1.615158 | -.65598636 |
| 3 | 3s | 1.629342 | 1.67310081 |
| 4 | 4s | .992961 | -1.33592098 |
| 5 | 5s | 2.339543 | -.25977517 |
| 6 | 4s | 7.587225 | -.05574278 |
| 7 | 5s | 13.771505 | -.01630476 |
| 8 | 4s | 18.405913 | -.00651252 |
| 9 | 5s | 46.371618 | -.00011750 |
| 10 | 2s | 55.117134 | .00003059 |
| ORB.ENERGY,a.u. | -.454120 | ||
| NORM | 1.000000 | < R > | 4.997365 | < R2 > | 28.112443 | < 1/R > | .274383 | < 1/R**2 > | .574552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.335309 | 1.35374659 |
| 2 | 3p | 4.001448 | -.45108791 |
| 3 | 2p | 8.647410 | .09255577 |
| 4 | 4p | 10.035054 | .02134993 |
| 5 | 5p | 2.264387 | .01562897 |
| 6 | 3p | 16.839769 | .00010323 |
| 7 | 4p | 1.941897 | -.01637501 |
| 8 | 5p | 31.755342 | -.00010399 |
| ORB.ENERGY,a.u. | -3.694200 | ||
| NORM | 1.000000 | < R > | .640708 | < R2 > | .514340 | < 1/R > | 2.052721 | < 1/R**2 > | 5.958396 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.943614 | .28850025 |
| 2 | 2s | 3.611482 | -.76874332 |
| 3 | 3s | 6.912059 | -.23217946 |
| 4 | 4s | 5.687394 | -.05120842 |
| 5 | 5s | 13.960502 | -.00980951 |
| 6 | 5s | 1.126912 | .00219763 |
| 7 | 4s | 2.558431 | -.00356102 |
| 8 | 3s | 38.263578 | -.00007656 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669460 | < R2 > | .533855 | < 1/R > | 2.170722 | < 1/R**2 > | 19.411760 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716095 |
| 2 | 1s | 16.607464 | .09138173 |
| 3 | 2s | 6.077589 | .01906077 |
| 4 | 3s | 7.731937 | -.02091845 |
| 5 | 4s | 9.908720 | .01068143 |
| 6 | 5s | 28.864168 | .00103991 |
| 7 | 4s | 67.865156 | -.00003916 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603314 | < 1/R**2 > | 272.037337 |
Total Energy= -196.39250894 a.u.
Kinetic Energy= 196.39414689 a.u.
Potential Energy= -392.78665583 a.u.
Virial Ratio = -1.99999166