(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 2 S Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | .220107 | .06793193 |
| 2 | 5p | 1.155519 | .36532674 |
| 3 | 4p | 4.038493 | -.15829541 |
| 4 | 2p | 7.571585 | .07553305 |
| 5 | 5p | 2.863649 | -.13947820 |
| 6 | 3p | 10.490262 | -.01098705 |
| 7 | 4p | .557598 | -.24535185 |
| 8 | 3p | .607076 | .84143971 |
| 9 | 4p | 35.512165 | -.00007265 |
| 10 | 5p | .307050 | -.02523076 |
| ORB.ENERGY,a.u. | -.459700 | ||
| NORM | 1.000000 | < R > | 5.147932 | < R2 > | 29.622642 | < 1/R > | .237338 | < 1/R**2 > | .138110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.815927 | .96499487 |
| 2 | 2p | 2.023968 | -1.20402521 |
| 3 | 3p | 4.520427 | -.47832186 |
| 4 | 2p | 10.344657 | .08630039 |
| 5 | 3p | 16.339037 | -.00252279 |
| 6 | 5p | 2.129795 | -.04849572 |
| 7 | 4p | 2.244092 | -.02054908 |
| 8 | 5p | .886986 | .00145089 |
| 9 | 4p | 36.228659 | -.00013633 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.472278 | < R2 > | 2.524767 | < 1/R > | .910103 | < 1/R**2 > | 1.824836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.436479 | .76860055 |
| 2 | 1s | 9.978787 | .18046777 |
| 3 | 2s | 5.337737 | -.73167467 |
| 4 | 3s | 2.824725 | .52739104 |
| 5 | 4s | 5.857348 | .06887878 |
| 6 | 2s | 10.543785 | -.16897028 |
| 7 | 2s | 18.474151 | -.00535602 |
| 8 | 5s | 1.948692 | -.03260848 |
| 9 | 4s | 30.499699 | .00054933 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.343709 | < R2 > | 2.072895 | < 1/R > | 1.016443 | < 1/R**2 > | 6.062065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.899460 | .47238542 |
| 2 | 3p | 8.066085 | .47428455 |
| 3 | 4p | 6.706061 | .14351053 |
| 4 | 5p | 5.350968 | .00938392 |
| 5 | 2p | 20.021173 | .00690405 |
| 6 | 5p | 15.429510 | -.00704493 |
| 7 | 3p | 48.576751 | .00003744 |
| 8 | 3p | 2.473137 | .00194981 |
| 9 | 4p | .637621 | -.00006068 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375349 | < R2 > | .174413 | < 1/R > | 3.450339 | < 1/R**2 > | 16.529791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489382 | .38359653 |
| 2 | 2s | 7.544603 | -.80324388 |
| 3 | 3s | 6.937615 | -.26220572 |
| 4 | 4s | 30.391425 | .00160564 |
| 5 | 3s | 17.933851 | .00715099 |
| 6 | 2s | 4.310988 | -.08028417 |
| 7 | 5s | 3.296818 | -.01143729 |
| 8 | 4s | 2.979084 | .01398976 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411809 | < R2 > | .200696 | < 1/R > | 3.559088 | < 1/R**2 > | 52.079698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580760 | 1.00986121 |
| 2 | 2s | 22.414456 | -.01728879 |
| 3 | 3s | 14.918551 | .01754356 |
| 4 | 4s | 51.112162 | -.00050655 |
| 5 | 4s | 12.555744 | .00288696 |
| 6 | 5s | 60.159804 | .00012269 |
| 7 | 5s | 16.004030 | -.00409524 |
| 8 | 2s | 34.434039 | -.00228456 |
| 9 | 2s | 85.500067 | .00004387 |
| 10 | 5s | 3.843005 | -.00002782 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.553969 | < 1/R**2 > | 621.165708 |
Total Energy= -525.58924857 a.u.
Kinetic Energy= 525.57780854 a.u.
Potential Energy= -1051.16705711 a.u.
Virial Ratio = -2.00002177