(1s 2 2s 2 2p 5 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 2.387475 | .71136706 |
| 2 | 2p | 4.498805 | .36353625 |
| 3 | 2p | 9.850103 | .01359349 |
| 4 | 3p | 1.857674 | .06200158 |
| 5 | 4p | 3.127926 | -.04516998 |
| 6 | 5p | 12.320285 | .00288913 |
| 7 | 4p | 1.601596 | -.00362666 |
| 8 | 3p | 5.393923 | -.03573970 |
| ORB.ENERGY,a.u. | -1.445000 | ||
| NORM | 1.000000 | < R > | .875884 | < R2 > | .982033 | < 1/R > | 1.536887 | < 1/R**2 > | 3.420173 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.362927 | .30436185 |
| 2 | 2s | 3.651287 | -.81954393 |
| 3 | 3s | 2.866123 | -.31021256 |
| 4 | 4s | 12.911188 | .01703447 |
| 5 | 3s | 15.443135 | .00288035 |
| 6 | 5s | 6.074000 | .01172217 |
| 7 | 5s | 15.662219 | -.00393372 |
| 8 | 4s | 2.181503 | -.00527225 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .860281 | < R2 > | .890284 | < 1/R > | 1.685610 | < 1/R**2 > | 11.736294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.238091 | .89716234 |
| 2 | 1s | 13.968578 | .09837384 |
| 3 | 1s | 10.320091 | .00173341 |
| 4 | 2s | 6.806310 | .01622533 |
| 5 | 3s | 10.840968 | -.00748231 |
| 6 | 4s | 18.565539 | .00278143 |
| 7 | 5s | 60.616834 | -.00003748 |
| 8 | 5s | 5.060436 | .00067782 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620052 | < 1/R**2 > | 187.253888 |
Total Energy= -127.81781172 a.u.
Kinetic Energy= 127.81780215 a.u.
Potential Energy= -255.63561387 a.u.
Virial Ratio = -2.00000007