(1s 2 2s 2 2p 5 3d 1 ) 3 F Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3.190071 | 1.16579272 |
| 2 | 3d | 8.004682 | .03923588 |
| 3 | 4d | 3.925517 | -.18180625 |
| 4 | 4d | 53.217678 | .00001161 |
| 5 | 5d | 2.321472 | .02374658 |
| 6 | 4d | 2.082093 | -.02841102 |
| ORB.ENERGY,a.u. | -4.759800 | ||
| NORM | 1.000000 | < R > | 1.065753 | < R2 > | 1.315957 | < 1/R > | 1.116950 | < 1/R**2 > | 1.542513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.388083 | 1.16938180 |
| 2 | 3p | 7.567630 | -.23362273 |
| 3 | 2p | 13.860825 | .06282149 |
| 4 | 4p | 16.663432 | .00866946 |
| 5 | 5p | 5.733343 | .00354409 |
| 6 | 5p | 43.783792 | -.00012463 |
| ORB.ENERGY,a.u. | -16.411000 | ||
| NORM | 1.000000 | < R > | .360123 | < R2 > | .159277 | < 1/R > | 3.568011 | < 1/R**2 > | 17.537672 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.296684 | .40131509 |
| 2 | 2s | 7.696877 | -.84621183 |
| 3 | 3s | 6.997548 | -.30663015 |
| 4 | 4s | 18.527783 | .00500821 |
| 5 | 3s | 20.859641 | .00677130 |
| 6 | 5s | 36.879892 | .00068731 |
| 7 | 5s | 6.518022 | -.00549499 |
| 8 | 3s | 61.795381 | -.00004995 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .401589 | < R2 > | .190082 | < 1/R > | 3.650283 | < 1/R**2 > | 54.552092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.191113 | .93053084 |
| 2 | 1s | 25.175575 | .06482331 |
| 3 | 2s | 10.863151 | .02183706 |
| 4 | 3s | 13.397197 | -.02196112 |
| 5 | 4s | 16.617489 | .01065632 |
| 6 | 5s | 43.179459 | .00069053 |
| 7 | 4s | 98.294594 | -.00003028 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085952 | < R2 > | .009917 | < 1/R > | 17.573073 | < 1/R**2 > | 622.220881 |
Total Energy= -495.21279125 a.u.
Kinetic Energy= 495.23989184 a.u.
Potential Energy= -990.45268309 a.u.
Virial Ratio = -1.99994528