(1s 2 2s 2 2p 6 3s 2 3p 3 ) 2 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 4.497212 | .27135470 |
| 2 | 2p | .946991 | -.77823721 |
| 3 | 3p | 2.183429 | -.25531585 |
| 4 | 2p | 9.760140 | .03379192 |
| 5 | 4p | 7.353222 | -.02382286 |
| 6 | 5p | .944129 | -.07956162 |
| 7 | 3p | 15.948103 | -.00130734 |
| 8 | 4p | .508149 | -.00176968 |
| ORB.ENERGY,a.u. | -.380050 | ||
| NORM | 1.000000 | < R > | 2.576929 | < R2 > | 8.213079 | < 1/R > | .535033 | < 1/R**2 > | .661026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.623382 | -.11735889 |
| 2 | 1s | 11.284794 | .14370183 |
| 3 | 2s | 4.873788 | -.27047394 |
| 4 | 3s | 1.863497 | .79424534 |
| 5 | 4s | 3.355336 | .21667897 |
| 6 | 5s | 1.596779 | .09285694 |
| 7 | 3s | 15.895650 | .00403542 |
| 8 | 4s | 48.621348 | -.00005157 |
| 9 | 4s | .919016 | .00430059 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.908097 | < R2 > | 4.235200 | < 1/R > | .704636 | < 1/R**2 > | 2.801553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.380791 | .42654619 |
| 2 | 3p | 6.505088 | .49615142 |
| 3 | 2p | 19.036948 | .00291311 |
| 4 | 4p | 5.221604 | .18217078 |
| 5 | 5p | 3.877509 | .01215037 |
| 6 | 3p | 28.058729 | .00004224 |
| 7 | 4p | 26.820055 | -.00029111 |
| 8 | 3p | 1.309134 | .00267634 |
| 9 | 4p | .833625 | .00047183 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483961 | < R2 > | .292858 | < 1/R > | 2.704861 | < 1/R**2 > | 10.276522 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.193841 | .35982863 |
| 2 | 2s | 5.436975 | -.77667268 |
| 3 | 3s | 4.854549 | -.17150058 |
| 4 | 4s | 23.570483 | .00226159 |
| 5 | 2s | 6.762142 | -.17608405 |
| 6 | 3s | 15.343902 | .00819776 |
| 7 | 5s | 4.043523 | -.00311639 |
| 8 | 4s | 1.877665 | -.00045985 |
| 9 | 5s | 46.557885 | .00006549 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515447 | < R2 > | .315626 | < 1/R > | 2.832813 | < 1/R**2 > | 33.080518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.249710 | -.00020326 |
| 2 | 1s | 14.570410 | 1.01425246 |
| 3 | 2s | 21.105416 | -.02188125 |
| 4 | 3s | 11.320370 | .01690029 |
| 5 | 4s | 20.095979 | -.00095022 |
| 6 | 5s | 17.689121 | .00342746 |
| 7 | 5s | 62.480782 | -.00003191 |
| 8 | 4s | 12.079246 | -.00659809 |
| 9 | 2s | 54.220088 | .00013074 |
| 10 | 3s | 7.524678 | .00140874 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103802 | < R2 > | .014488 | < 1/R > | 14.573758 | < 1/R**2 > | 428.615748 |
Total Energy= -340.69771248 a.u.
Kinetic Energy= 340.41604073 a.u.
Potential Energy= -681.11375321 a.u.
Virial Ratio = -2.00082743