(1s 2 2s 1 4s 1 ) 3 S Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 12.554948 | .18074398 |
| 2 | 2s | 4.417498 | -1.84725026 |
| 3 | 3s | 3.911338 | 5.24857440 |
| 4 | 4s | 3.848045 | -4.32261011 |
| 5 | 5s | 6.215350 | .16922007 |
| 6 | 4s | 11.357677 | -.05077722 |
| 7 | 5s | 34.186721 | .00109195 |
| 8 | 4s | 46.551127 | .00022670 |
| 9 | 5s | 1.792646 | .00014724 |
| ORB.ENERGY,a.u. | -7.417900 | ||
| NORM | .999999 | < R > | 1.524244 | < R2 > | 2.610678 | < 1/R > | .965011 | < 1/R**2 > | 7.412444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.594360 | .44100741 |
| 2 | 2s | 7.927136 | -.81872863 |
| 3 | 3s | 9.462906 | -.30549794 |
| 4 | 5s | 16.437284 | -.02020610 |
| 5 | 4s | 32.245961 | .00406575 |
| 6 | 5s | 42.658947 | -.00091245 |
| 7 | 4s | 106.293038 | .00001418 |
| ORB.ENERGY,a.u. | -32.956000 | ||
| NORM | 1.000000 | < R > | .358429 | < R2 > | .149850 | < 1/R > | 4.129357 | < 1/R**2 > | 68.673468 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.362706 | .93741687 |
| 2 | 1s | 27.081425 | .05021759 |
| 3 | 2s | 21.490256 | .01681911 |
| 4 | 3s | 3.668568 | .00141032 |
| 5 | 4s | 73.073571 | -.00037300 |
| 6 | 5s | 97.678473 | .00013530 |
| 7 | 5s | 17.022189 | .00076538 |
| 8 | 4s | 4.828352 | -.00126902 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085214 | < R2 > | .009713 | < 1/R > | 17.672843 | < 1/R**2 > | 627.779765 |
Total Energy= -353.82425147 a.u.
Kinetic Energy= 353.84229012 a.u.
Potential Energy= -707.66654159 a.u.
Virial Ratio = -1.99994902