(1s 2 2s 2 2p 1 4p 1 ) 3 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 7.970807 | .35515186 |
| 2 | 3p | 3.655413 | -.95156275 |
| 3 | 5p | 3.711916 | 1.40776831 |
| 4 | 4p | 5.321791 | -.34789098 |
| 5 | 5p | 10.126486 | .03859592 |
| 6 | 4p | 24.510127 | -.00273153 |
| 7 | 5p | 3.239514 | .23773007 |
| 8 | 5p | 54.051182 | -.00030485 |
| 9 | 4p | 83.016374 | -.00006138 |
| ORB.ENERGY,a.u. | -5.651300 | ||
| NORM | 1.000000 | < R > | 1.657083 | < R2 > | 3.108126 | < 1/R > | .858989 | < 1/R**2 > | 2.034465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.630819 | 1.08262677 |
| 2 | 3p | 9.113088 | -.09500363 |
| 3 | 2p | 18.730019 | .01116112 |
| 4 | 5p | 23.053927 | .00227012 |
| 5 | 5p | 7.919175 | .00110584 |
| ORB.ENERGY,a.u. | -26.967000 | ||
| NORM | 1.000000 | < R > | .319951 | < R2 > | .123723 | < 1/R > | 3.942699 | < 1/R**2 > | 20.978263 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.371952 | .39023691 |
| 2 | 2s | 7.028723 | -.81677531 |
| 3 | 3s | 10.048972 | -.28727340 |
| 4 | 4s | 33.081296 | .00134045 |
| 5 | 5s | 19.282447 | -.00761421 |
| 6 | 5s | 7.708523 | .01597497 |
| 7 | 4s | 3.342428 | .00019464 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371838 | < R2 > | .161671 | < 1/R > | 3.958912 | < 1/R**2 > | 63.322012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.200080 | .93944315 |
| 2 | 1s | 26.490132 | .05697335 |
| 3 | 2s | 16.109266 | .02008428 |
| 4 | 3s | 19.664592 | -.01406778 |
| 5 | 4s | 88.478617 | -.00005663 |
| 6 | 5s | 41.258355 | .00066566 |
| 7 | 5s | 10.618411 | .00002927 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085412 | < R2 > | .009766 | < 1/R > | 17.644062 | < 1/R**2 > | 626.129162 |
Total Energy= -410.82704135 a.u.
Kinetic Energy= 410.85575977 a.u.
Potential Energy= -821.68280112 a.u.
Virial Ratio = -1.99993010