(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 4 S Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | .208184 | .08272577 |
| 2 | 5p | 1.156641 | .36680641 |
| 3 | 4p | 4.040038 | -.15803516 |
| 4 | 2p | 7.572922 | .07550216 |
| 5 | 5p | 2.867030 | -.13913205 |
| 6 | 3p | 10.499940 | -.01095716 |
| 7 | 4p | .560604 | -.30042588 |
| 8 | 3p | .596178 | .88502517 |
| 9 | 4p | 35.713151 | -.00007110 |
| 10 | 5p | .304864 | -.03646304 |
| ORB.ENERGY,a.u. | -.459700 | ||
| NORM | 1.000000 | < R > | 5.147935 | < R2 > | 29.622794 | < 1/R > | .237338 | < 1/R**2 > | .138110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.818986 | .95771556 |
| 2 | 2p | 2.022650 | -1.19470586 |
| 3 | 3p | 4.513604 | -.47727831 |
| 4 | 2p | 10.326415 | .08693055 |
| 5 | 3p | 16.201783 | -.00261312 |
| 6 | 5p | 2.133966 | -.05242859 |
| 7 | 4p | 2.446241 | -.02099964 |
| 8 | 5p | .897966 | .00148761 |
| 9 | 4p | 36.264502 | -.00013978 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.472277 | < R2 > | 2.524767 | < 1/R > | .910103 | < 1/R**2 > | 1.824835 |
| 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 | 9.899463 | .47238523 |
| 2 | 3p | 8.066082 | .47428421 |
| 3 | 4p | 6.706073 | .14351043 |
| 4 | 5p | 5.350978 | .00938373 |
| 5 | 2p | 20.021185 | .00690406 |
| 6 | 5p | 15.429319 | -.00704460 |
| 7 | 3p | 48.572062 | .00003743 |
| 8 | 3p | 2.473429 | .00195029 |
| 9 | 4p | .637130 | -.00006064 |
| 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= -525.58924926 a.u.
Kinetic Energy= 525.57780394 a.u.
Potential Energy= -1051.16705320 a.u.
Virial Ratio = -2.00002178