(1s 2 2s 2 2p 6 3s 2 3p 5 4p 1 ) 1 D Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | .396713 | 1.02692867 |
| 2 | 5p | .618081 | .14240714 |
| 3 | 4p | 4.081204 | -.08966716 |
| 4 | 2p | 7.841289 | .03691974 |
| 5 | 5p | 2.895376 | -.07610502 |
| 6 | 3p | 11.085816 | -.00436966 |
| 7 | 3p | 1.142663 | -.25262724 |
| 8 | 4p | 38.398444 | -.00002634 |
| ORB.ENERGY,a.u. | -.092166 | ||
| NORM | .999999 | < R > | 7.457910 | < R2 > | 63.216846 | < 1/R > | .160626 | < 1/R**2 > | .053463 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.268792 | .30107279 |
| 2 | 2p | 1.655932 | -.93447342 |
| 3 | 3p | 3.162190 | -.17181861 |
| 4 | 2p | 7.884176 | .17984083 |
| 5 | 3p | 9.594584 | -.06557913 |
| 6 | 4p | 24.145120 | -.00061788 |
| 7 | 5p | 1.587906 | -.01129432 |
| 8 | 4p | .612044 | .00235693 |
| 9 | 3p | 24.876245 | -.00053421 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.558726 | < R2 > | 2.860968 | < 1/R > | .863129 | < 1/R**2 > | 1.651652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286060 | .81278324 |
| 2 | 1s | 10.256210 | .17091972 |
| 3 | 2s | 5.407397 | -.67756901 |
| 4 | 3s | 2.826688 | .45067316 |
| 5 | 4s | 5.549984 | .05913026 |
| 6 | 2s | 10.385216 | -.15244901 |
| 7 | 2s | 16.736489 | -.00918017 |
| 8 | 5s | 1.820355 | -.05023843 |
| 9 | 4s | 31.175402 | .00061848 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382110 | < R2 > | 2.204642 | < 1/R > | .988296 | < 1/R**2 > | 5.720054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.930027 | .47304561 |
| 2 | 3p | 8.056849 | .47299662 |
| 3 | 4p | 6.732689 | .14366129 |
| 4 | 5p | 5.293924 | .01116265 |
| 5 | 2p | 20.931761 | .00547045 |
| 6 | 5p | 15.946752 | -.00567445 |
| 7 | 3p | 44.068300 | .00005589 |
| 8 | 3p | 2.026460 | .00182606 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375620 | < R2 > | .174730 | < 1/R > | 3.448652 | < 1/R**2 > | 16.516284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343112 | .38923411 |
| 2 | 2s | 7.634482 | -.82053978 |
| 3 | 3s | 6.808075 | -.29466020 |
| 4 | 4s | 30.770195 | .00337367 |
| 5 | 3s | 14.438012 | .01383801 |
| 6 | 2s | 4.007167 | -.04579470 |
| 7 | 5s | 2.989875 | -.00536256 |
| 8 | 5s | 41.221571 | -.00056201 |
| 9 | 2s | 99.258247 | -.00000312 |
| 10 | 4s | 2.702605 | .00610504 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412095 | < R2 > | .201017 | < 1/R > | 3.556801 | < 1/R**2 > | 52.019083 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580384 | 1.00987117 |
| 2 | 2s | 22.431392 | -.01729990 |
| 3 | 3s | 14.907688 | .01755814 |
| 4 | 4s | 51.027925 | -.00050576 |
| 5 | 4s | 12.558530 | .00288630 |
| 6 | 5s | 60.230073 | .00012308 |
| 7 | 5s | 15.991650 | -.00410157 |
| 8 | 2s | 34.414232 | -.00228263 |
| 9 | 2s | 84.916259 | .00004489 |
| 10 | 5s | 3.968592 | -.00003480 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553520 | < 1/R**2 > | 621.141243 |
Total Energy= -526.36688965 a.u.
Kinetic Energy= 526.36671494 a.u.
Potential Energy= -1052.73360458 a.u.
Virial Ratio = -2.00000033