(1s 2 2s 2 2p 6 3s 2 3p 5 4p 1 ) 3 S Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 2p | .423899 | 1.03751431 |
| 2 | 5p | .681352 | .10704271 |
| 3 | 4p | 4.094698 | -.11832195 |
| 4 | 2p | 7.722260 | .05363721 |
| 5 | 5p | 3.044346 | -.09611137 |
| 6 | 3p | 10.600498 | -.00740634 |
| 7 | 3p | 1.286392 | -.22755369 |
| 8 | 4p | 34.280747 | -.00006386 |
| ORB.ENERGY,a.u. | -.101600 | ||
| NORM | 1.000000 | < R > | 6.784747 | < R2 > | 52.715260 | < 1/R > | .183243 | < 1/R**2 > | .084409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.191474 | .29260514 |
| 2 | 2p | 1.643292 | -.92386701 |
| 3 | 3p | 3.174409 | -.18518157 |
| 4 | 2p | 7.944017 | .18199653 |
| 5 | 3p | 9.772377 | -.05918426 |
| 6 | 4p | 27.616283 | -.00078967 |
| 7 | 5p | 1.400981 | -.01174254 |
| 8 | 4p | .480800 | -.00515127 |
| 9 | 3p | 41.831204 | -.00013651 |
| 10 | 3p | 52.746396 | .00003309 |
| 11 | 5p | .464938 | .00186669 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.564324 | < R2 > | 2.889498 | < 1/R > | .861131 | < 1/R**2 > | 1.645004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286066 | .81282844 |
| 2 | 1s | 10.256524 | .17091663 |
| 3 | 2s | 5.407440 | -.67757673 |
| 4 | 3s | 2.826910 | .45067752 |
| 5 | 4s | 5.548832 | .05911281 |
| 6 | 2s | 10.385058 | -.15245519 |
| 7 | 2s | 16.736387 | -.00917981 |
| 8 | 5s | 1.826568 | -.05001804 |
| 9 | 4s | 31.170400 | .00061900 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382196 | < R2 > | 2.205152 | < 1/R > | .988302 | < 1/R**2 > | 5.720394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929276 | .47314463 |
| 2 | 3p | 8.056509 | .47294199 |
| 3 | 4p | 6.732723 | .14365081 |
| 4 | 5p | 5.291924 | .01117689 |
| 5 | 2p | 20.935150 | .00546985 |
| 6 | 5p | 15.950119 | -.00568033 |
| 7 | 3p | 44.003110 | .00005604 |
| 8 | 3p | 1.985450 | .00171427 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375597 | < R2 > | .174701 | < 1/R > | 3.448771 | < 1/R**2 > | 16.517163 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343123 | .38923448 |
| 2 | 2s | 7.634485 | -.82053994 |
| 3 | 3s | 6.808081 | -.29465998 |
| 4 | 4s | 30.770755 | .00337364 |
| 5 | 3s | 14.438178 | .01383800 |
| 6 | 2s | 4.007338 | -.04579359 |
| 7 | 5s | 2.989487 | -.00536194 |
| 8 | 5s | 41.221621 | -.00056193 |
| 9 | 2s | 99.607038 | -.00000310 |
| 10 | 4s | 2.702072 | .00610671 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412094 | < R2 > | .201016 | < 1/R > | 3.556809 | < 1/R**2 > | 52.019281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580384 | 1.00987123 |
| 2 | 2s | 22.431333 | -.01729997 |
| 3 | 3s | 14.907714 | .01755810 |
| 4 | 4s | 51.028119 | -.00050577 |
| 5 | 4s | 12.558482 | .00288631 |
| 6 | 5s | 60.230050 | .00012309 |
| 7 | 5s | 15.991671 | -.00410157 |
| 8 | 2s | 34.414272 | -.00228264 |
| 9 | 2s | 84.917408 | .00004488 |
| 10 | 5s | 3.969712 | -.00003476 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553520 | < 1/R**2 > | 621.141281 |
Total Energy= -526.36526759 a.u.
Kinetic Energy= 526.37613160 a.u.
Potential Energy= -1052.74139919 a.u.
Virial Ratio = -1.99997936