(1s 2 2s 2 2p 6 3s 2 3p 5 5s 1 ) 3 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 14.244420 | .01367113 |
| 2 | 2s | 6.079158 | -.05138485 |
| 3 | 3s | 2.334280 | .33755491 |
| 4 | 4s | .851518 | -.26760425 |
| 5 | 5s | .442889 | .65932342 |
| 6 | 2s | .500047 | -.39629055 |
| 7 | 4s | 2.782414 | -.16330707 |
| 8 | 3s | .302855 | .51523145 |
| 9 | 5s | 43.242928 | .00005959 |
| ORB.ENERGY,a.u. | -.059643 | ||
| NORM | 1.000002 | < R > | 12.716096 | < R2 > | 182.367774 | < 1/R > | .103266 | < 1/R**2 > | .077319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.171218 | .29422214 |
| 2 | 2p | 1.648328 | -.93153834 |
| 3 | 3p | 3.190248 | -.18091927 |
| 4 | 2p | 7.955755 | .18262507 |
| 5 | 3p | 9.799644 | -.05844783 |
| 6 | 4p | 28.055000 | -.00080308 |
| 7 | 4p | 1.213998 | -.02788180 |
| 8 | 5p | 60.066152 | -.00003264 |
| 9 | 3p | .944999 | .01896767 |
| 10 | 3p | 46.601653 | -.00005680 |
| 11 | 5p | .324322 | .00012762 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.560300 | < R2 > | 2.868910 | < 1/R > | .862627 | < 1/R**2 > | 1.650124 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.731137 | 2.17401223 |
| 2 | 1s | 19.249310 | .02191144 |
| 3 | 2s | 6.637023 | -1.19045580 |
| 4 | 3s | 3.411577 | -.24556006 |
| 5 | 4s | 5.790956 | -.37753167 |
| 6 | 5s | 8.995278 | -.09874940 |
| 7 | 2s | 1.733723 | -.00022499 |
| 8 | 3s | 60.884955 | -.00013104 |
| 9 | 4s | 96.532857 | .00004098 |
| 10 | 5s | .351883 | -.00092460 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381709 | < R2 > | 2.203638 | < 1/R > | .988676 | < 1/R**2 > | 5.725047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929822 | .47307381 |
| 2 | 3p | 8.056841 | .47296969 |
| 3 | 4p | 6.732861 | .14365216 |
| 4 | 5p | 5.297709 | .01115073 |
| 5 | 2p | 20.932489 | .00547052 |
| 6 | 5p | 15.947057 | -.00567449 |
| 7 | 3p | 44.047994 | .00005593 |
| 8 | 3p | 2.030027 | .00182037 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375612 | < R2 > | .174720 | < 1/R > | 3.448698 | < 1/R**2 > | 16.516631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343445 | .38923324 |
| 2 | 2s | 7.634514 | -.82053421 |
| 3 | 3s | 6.808404 | -.29465404 |
| 4 | 4s | 30.790146 | .00337520 |
| 5 | 3s | 14.440830 | .01383679 |
| 6 | 2s | 4.008156 | -.04578733 |
| 7 | 5s | 2.984710 | -.00537436 |
| 8 | 5s | 41.247866 | -.00056230 |
| 9 | 2s | 106.600021 | -.00000281 |
| 10 | 4s | 2.699549 | .00611355 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412082 | < R2 > | .201003 | < 1/R > | 3.556911 | < 1/R**2 > | 52.022038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580400 | 1.00987076 |
| 2 | 2s | 22.430562 | -.01729945 |
| 3 | 3s | 14.908157 | .01755752 |
| 4 | 4s | 51.032704 | -.00050578 |
| 5 | 4s | 12.557687 | .00288654 |
| 6 | 5s | 60.232452 | .00012313 |
| 7 | 5s | 15.991900 | -.00410156 |
| 8 | 2s | 34.415296 | -.00228278 |
| 9 | 2s | 84.929201 | .00004486 |
| 10 | 5s | 3.952904 | -.00003454 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553540 | < 1/R**2 > | 621.142317 |
Total Energy= -526.33365241 a.u.
Kinetic Energy= 526.33402888 a.u.
Potential Energy= -1052.66768129 a.u.
Virial Ratio = -1.99999928