(1s 2 2s 2 2p 6 3s 2 3p 3 4s 1 ) 3 S Ar 2+
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 | 14.627581 | .04319165 |
| 2 | 2s | 5.606575 | -.18783036 |
| 3 | 3s | 3.660929 | .25542619 |
| 4 | 4s | 1.341198 | -1.26115024 |
| 5 | 5s | 2.105717 | -.44496453 |
| 6 | 4s | 31.074427 | .00033615 |
| 7 | 3s | 1.440795 | .92060331 |
| 8 | 3s | 11.595434 | -.00557202 |
| 9 | 2s | .803033 | -.12328524 |
| ORB.ENERGY,a.u. | -.649240 | ||
| NORM | 1.000001 | < R > | 3.594625 | < R2 > | 14.349148 | < 1/R > | .349614 | < 1/R**2 > | .771946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.452916 | .57320913 |
| 2 | 2p | 2.117646 | -1.19749468 |
| 3 | 3p | 10.729789 | -.06728529 |
| 4 | 4p | 5.578196 | .15827637 |
| 5 | 5p | 12.064051 | -.02069164 |
| 6 | 4p | 2.241379 | -.10169004 |
| 7 | 5p | 2.382602 | .04111337 |
| 8 | 4p | 37.144508 | -.00008830 |
| 9 | 3p | .645359 | .00018773 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.401228 | < R2 > | 2.268470 | < 1/R > | .953678 | < 1/R**2 > | 1.990874 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.808610 | 2.18720759 |
| 2 | 1s | 19.511055 | .02278707 |
| 3 | 2s | 6.569881 | -1.29968353 |
| 4 | 3s | 1.637834 | -.07777400 |
| 5 | 4s | 5.479624 | -.45738263 |
| 6 | 5s | 8.839490 | -.13066623 |
| 7 | 4s | .533347 | -.01488524 |
| 8 | 3s | 61.012961 | -.00009302 |
| 9 | 4s | 100.833161 | .00002450 |
| 10 | 5s | .610004 | .01330948 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | .999999 | < R > | 1.298248 | < R2 > | 1.922595 | < 1/R > | 1.052377 | < 1/R**2 > | 6.513551 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.813514 | .46341865 |
| 2 | 3p | 8.132832 | .46828366 |
| 3 | 4p | 6.742191 | .15222790 |
| 4 | 5p | 5.191885 | .00878174 |
| 5 | 2p | 16.544319 | .01663412 |
| 6 | 5p | 14.571765 | -.00785467 |
| 7 | 4p | 60.144710 | .00002769 |
| 8 | 3p | 2.362998 | .00038325 |
| 9 | 3p | 22.979562 | -.00109552 |
| 10 | 2p | 129.223874 | -.00000077 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374917 | < R2 > | .173914 | < 1/R > | 3.453021 | < 1/R**2 > | 16.551139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.457456 | .38527564 |
| 2 | 2s | 7.569094 | -.81208613 |
| 3 | 3s | 6.884255 | -.27977061 |
| 4 | 4s | 30.505613 | .00179386 |
| 5 | 3s | 17.259652 | .00792298 |
| 6 | 2s | 4.071460 | -.05759193 |
| 7 | 5s | 2.886891 | -.01753490 |
| 8 | 4s | 2.521733 | .02018027 |
| 9 | 5s | 78.695596 | .00001091 |
| 10 | 3s | .505409 | .00005479 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411342 | < R2 > | .200180 | < 1/R > | 3.562932 | < 1/R**2 > | 52.182410 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581197 | 1.00986153 |
| 2 | 2s | 22.364462 | -.01728922 |
| 3 | 3s | 14.944777 | .01750871 |
| 4 | 4s | 51.753105 | -.00051323 |
| 5 | 4s | 12.525037 | .00290277 |
| 6 | 5s | 61.812327 | .00011614 |
| 7 | 5s | 16.002702 | -.00407387 |
| 8 | 2s | 34.519657 | -.00228640 |
| 9 | 2s | 87.013086 | .00004109 |
| 10 | 5s | 4.574629 | -.00002113 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009957 | < 1/R > | 17.554733 | < 1/R**2 > | 621.207207 |
Total Energy= -524.53007223 a.u.
Kinetic Energy= 524.51284720 a.u.
Potential Energy= -1049.04291943 a.u.
Virial Ratio = -2.00003284