(1s 2 2s 2 2p 6 3s 1 4s 1 ) 3 S Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 14.678888 | .07982469 |
| 2 | 2s | 5.496786 | -.36454015 |
| 3 | 3s | 2.883616 | 1.25798605 |
| 4 | 4s | 2.154167 | -1.60510348 |
| 5 | 5s | 16.815896 | -.00738395 |
| 6 | 4s | 20.508400 | -.00418355 |
| 7 | 3s | 35.670568 | -.00019065 |
| ORB.ENERGY,a.u. | -2.208100 | ||
| NORM | 1.000000 | < R > | 2.425255 | < R2 > | 6.565212 | < 1/R > | .565322 | < 1/R**2 > | 2.472073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.521768 | 1.21076385 |
| 2 | 1s | 14.967960 | .10644381 |
| 3 | 2s | 5.852213 | -1.00282176 |
| 4 | 3s | 1.886247 | -.27644966 |
| 5 | 4s | 3.800901 | .68312436 |
| 6 | 5s | 11.502961 | .02811824 |
| 7 | 4s | 3.252816 | -.23534772 |
| 8 | 2s | 11.065034 | -.03149561 |
| 9 | 3s | 47.553575 | -.00026239 |
| 10 | 2s | 75.698531 | -.00002819 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.163936 | < R2 > | 1.534896 | < 1/R > | 1.195170 | < 1/R**2 > | 8.582309 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.060913 | .45480189 |
| 2 | 3p | 8.341173 | .46915699 |
| 3 | 5p | 5.160377 | .00799166 |
| 4 | 4p | 6.918402 | .17372629 |
| 5 | 2p | 19.449455 | .00802491 |
| 6 | 5p | 15.035445 | -.00845763 |
| 7 | 3p | 59.034272 | .00003256 |
| 8 | 4p | 111.616559 | -.00000465 |
| 9 | 3p | 3.685763 | -.00510564 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371875 | < R2 > | .170642 | < 1/R > | 3.473923 | < 1/R**2 > | 16.723738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.404962 | .38917782 |
| 2 | 2s | 7.589036 | -.83130147 |
| 3 | 3s | 6.776867 | -.30048888 |
| 4 | 4s | 30.464115 | .00173641 |
| 5 | 3s | 17.226350 | .00882104 |
| 6 | 2s | 3.947621 | -.01905396 |
| 7 | 4s | 1.982800 | .00077681 |
| 8 | 5s | 75.095837 | .00000864 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409304 | < R2 > | .197960 | < 1/R > | 3.579778 | < 1/R**2 > | 52.630702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587373 | 1.00954613 |
| 2 | 2s | 23.121774 | -.01668939 |
| 3 | 3s | 16.357667 | .01505266 |
| 4 | 4s | 28.536465 | -.00071969 |
| 5 | 4s | 11.721610 | .00449119 |
| 6 | 5s | 43.514424 | .00041652 |
| 7 | 5s | 13.415534 | -.00272329 |
| 8 | 2s | 28.665809 | -.00289066 |
| 9 | 2s | 72.312937 | .00005452 |
| 10 | 3s | 3.544671 | -.00001743 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086062 | < R2 > | .009948 | < 1/R > | 17.558875 | < 1/R**2 > | 621.438469 |
Total Energy= -513.38965506 a.u.
Kinetic Energy= 513.40577995 a.u.
Potential Energy= -1026.79543501 a.u.
Virial Ratio = -1.99996859