(1s 2 2s 2 2p 6 3s 2 3p 4 ) 1 D Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 5.777670 | .45915061 |
| 2 | 2p | 1.799557 | -.95786273 |
| 3 | 3p | 2.836181 | -.15407715 |
| 4 | 2p | 13.609221 | .02566909 |
| 5 | 4p | 9.565721 | -.04225686 |
| 6 | 5p | 39.901225 | -.00013179 |
| 7 | 3p | 29.652820 | -.00017031 |
| ORB.ENERGY,a.u. | -1.364100 | ||
| NORM | 1.000000 | < R > | 1.478239 | < R2 > | 2.549337 | < 1/R > | .908372 | < 1/R**2 > | 1.823907 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.837892 | -.09524105 |
| 2 | 1s | 13.482891 | .17633637 |
| 3 | 2s | 5.906527 | -.41903197 |
| 4 | 3s | 2.757752 | .91548897 |
| 5 | 4s | 4.877192 | .14854882 |
| 6 | 3s | 19.879617 | .00316122 |
| 7 | 5s | 2.515225 | .07804330 |
| 8 | 4s | 60.839220 | -.00005109 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.341289 | < R2 > | 2.064846 | < 1/R > | 1.018365 | < 1/R**2 > | 6.086299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.812853 | .46080901 |
| 2 | 3p | 8.179160 | .47363149 |
| 3 | 4p | 6.698377 | .15641079 |
| 4 | 5p | 4.814040 | .00806937 |
| 5 | 2p | 17.434263 | .01472436 |
| 6 | 5p | 14.484084 | -.01210007 |
| 7 | 4p | 66.814840 | .00005491 |
| 8 | 5p | 2.569466 | .00093910 |
| 9 | 3p | 103.405530 | .00001300 |
| 10 | 2p | 172.383145 | .00000091 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .375466 | < R2 > | .174574 | < 1/R > | 3.449829 | < 1/R**2 > | 16.526353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.465565 | .38459415 |
| 2 | 2s | 7.563252 | -.81155696 |
| 3 | 3s | 6.879432 | -.27997207 |
| 4 | 4s | 30.544498 | .00167827 |
| 5 | 3s | 17.448150 | .00786340 |
| 6 | 2s | 4.017174 | -.05780445 |
| 7 | 5s | 3.072739 | -.01317100 |
| 8 | 4s | 2.759020 | .01595565 |
| 9 | 3s | .828715 | -.00002837 |
| 10 | 5s | 75.818378 | .00000610 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411751 | < R2 > | .200633 | < 1/R > | 3.559565 | < 1/R**2 > | 52.092368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580704 | 1.00987102 |
| 2 | 2s | 22.389835 | -.01730023 |
| 3 | 3s | 14.931160 | .01752752 |
| 4 | 4s | 51.596403 | -.00051280 |
| 5 | 4s | 12.551552 | .00289494 |
| 6 | 5s | 61.795155 | .00011486 |
| 7 | 5s | 15.995335 | -.00407471 |
| 8 | 2s | 34.490262 | -.00228212 |
| 9 | 2s | 86.735503 | .00004174 |
| 10 | 5s | 3.748269 | -.00002702 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554068 | < 1/R**2 > | 621.171176 |
Total Energy= -525.30415689 a.u.
Kinetic Energy= 525.22958338 a.u.
Potential Energy= -1050.53374027 a.u.
Virial Ratio = -2.00014198