(1s 2 2s 2 2p 5 3d 1 ) 3 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 3.167155 | 1.12567360 |
| 2 | 3d | 8.085288 | .03721721 |
| 3 | 4d | 3.941923 | -.14783175 |
| 4 | 4d | 52.317762 | .00001280 |
| 5 | 5d | 2.748507 | .00392861 |
| 6 | 3d | 21.560003 | -.00001832 |
| ORB.ENERGY,a.u. | -4.692500 | ||
| NORM | 1.000000 | < R > | 1.083067 | < R2 > | 1.357632 | < 1/R > | 1.097939 | < 1/R**2 > | 1.489316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.391470 | 1.16917413 |
| 2 | 3p | 7.565051 | -.23327015 |
| 3 | 2p | 13.869707 | .06267226 |
| 4 | 4p | 16.687014 | .00860160 |
| 5 | 5p | 5.724324 | .00353307 |
| 6 | 5p | 43.718023 | -.00012598 |
| ORB.ENERGY,a.u. | -16.344000 | ||
| NORM | 1.000000 | < R > | .359911 | < R2 > | .159075 | < 1/R > | 3.569709 | < 1/R**2 > | 17.552243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.324850 | .40016607 |
| 2 | 2s | 7.687221 | -.84583219 |
| 3 | 3s | 6.987964 | -.30643886 |
| 4 | 4s | 19.385481 | .00492421 |
| 5 | 3s | 21.295247 | .00675077 |
| 6 | 5s | 39.094803 | .00051640 |
| 7 | 5s | 6.068914 | -.00480805 |
| 8 | 4s | 3.699683 | .00090040 |
| 9 | 3s | 2.441078 | -.00034339 |
| 10 | 2s | 97.430679 | .00000571 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .401551 | < R2 > | .190040 | < 1/R > | 3.650594 | < 1/R**2 > | 54.560626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.191113 | .93052783 |
| 2 | 1s | 25.174341 | .06482628 |
| 3 | 2s | 10.858538 | .02184722 |
| 4 | 3s | 13.394006 | -.02196617 |
| 5 | 4s | 16.618126 | .01065556 |
| 6 | 5s | 43.099929 | .00068936 |
| 7 | 4s | 98.531443 | -.00003129 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085953 | < R2 > | .009917 | < 1/R > | 17.572969 | < 1/R**2 > | 622.215019 |
Total Energy= -495.21308489 a.u.
Kinetic Energy= 495.17242184 a.u.
Potential Energy= -990.38550674 a.u.
Virial Ratio = -2.00008212