(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 F Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 1.867036 | 1.11296917 |
| 2 | 4d | 2.174383 | -.27089666 |
| 3 | 3d | 3.931120 | .33116933 |
| 4 | 4d | 4.542723 | -.10176744 |
| 5 | 5d | 8.036251 | -.01709439 |
| 6 | 3d | 11.571724 | .00290840 |
| 7 | 5d | 33.548354 | -.00003267 |
| ORB.ENERGY,a.u. | -1.563400 | ||
| NORM | 1.000000 | < R > | 1.613395 | < R2 > | 3.116549 | < 1/R > | .770090 | < 1/R**2 > | .773390 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.447435 | .41748449 |
| 2 | 2p | 2.867355 | -.28287034 |
| 3 | 3p | 2.868927 | -.68638943 |
| 4 | 2p | 10.564587 | .08865050 |
| 5 | 3p | 19.264554 | -.00187908 |
| 6 | 4p | 2.576349 | -.22159271 |
| 7 | 4p | 81.938765 | .00000522 |
| 8 | 5p | 1.146395 | .00010292 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.334386 | < R2 > | 2.053895 | < 1/R > | 1.010119 | < 1/R**2 > | 2.247944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.331103 | -.23107745 |
| 2 | 1s | 13.068748 | .20323043 |
| 3 | 1s | 81.777833 | .00004277 |
| 4 | 2s | 5.992543 | -.33263834 |
| 5 | 3s | 2.798428 | 1.10450843 |
| 6 | 4s | 4.936378 | .12723665 |
| 7 | 3s | 40.719870 | -.00054706 |
| 8 | 5s | 3.315135 | -.09489911 |
| 9 | 4s | 1.894101 | .00114437 |
| 10 | 4s | 130.483274 | -.00000348 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.261701 | < R2 > | 1.813056 | < 1/R > | 1.086568 | < 1/R**2 > | 6.968494 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.431753 | .43524907 |
| 2 | 3p | 8.303504 | .49339650 |
| 3 | 5p | 5.887852 | .01572011 |
| 4 | 4p | 6.958568 | .15815403 |
| 5 | 2p | 23.881840 | .00201831 |
| 6 | 5p | 40.891214 | -.00015001 |
| 7 | 3p | 2.715238 | .00286504 |
| 8 | 4p | 112.899589 | .00000237 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .374322 | < R2 > | .173383 | < 1/R > | 3.458376 | < 1/R**2 > | 16.599564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.430121 | .38737880 |
| 2 | 2s | 7.563828 | -.83446150 |
| 3 | 3s | 6.822357 | -.29929300 |
| 4 | 4s | 30.599586 | .00170033 |
| 5 | 3s | 17.331813 | .00840716 |
| 6 | 4s | 5.624112 | -.01841561 |
| 7 | 5s | 2.481536 | -.00254734 |
| 8 | 4s | 2.068810 | .00302071 |
| 9 | 3s | 1.416021 | -.00042435 |
| 10 | 5s | 79.266964 | .00000558 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410222 | < R2 > | .198966 | < 1/R > | 3.572350 | < 1/R**2 > | 52.434050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586495 | 1.00955117 |
| 2 | 2s | 22.917234 | -.01618130 |
| 3 | 3s | 15.921006 | .01519260 |
| 4 | 4s | 32.618143 | -.00071707 |
| 5 | 4s | 11.935466 | .00374157 |
| 6 | 5s | 43.195003 | .00038453 |
| 7 | 5s | 14.129343 | -.00252279 |
| 8 | 2s | 31.115882 | -.00307500 |
| 9 | 2s | 64.172386 | .00012036 |
| 10 | 5s | 2.050772 | -.00000206 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086071 | < R2 > | .009951 | < 1/R > | 17.557561 | < 1/R**2 > | 621.363936 |
Total Energy= -520.76628136 a.u.
Kinetic Energy= 520.55908055 a.u.
Potential Energy= -1041.32536191 a.u.
Virial Ratio = -2.00039804