(1s 2 2s 2 2p 2 ) 1 S Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 7.384901 | 1.10896230 |
| 2 | 3p | 9.345924 | -.12795819 |
| 3 | 2p | 16.864669 | .01643540 |
| 4 | 5p | 24.064257 | .00260592 |
| 5 | 5p | 7.593871 | .00619644 |
| ORB.ENERGY,a.u. | -24.428000 | ||
| NORM | 1.000000 | < R > | .331457 | < R2 > | .133418 | < 1/R > | 3.828007 | < 1/R**2 > | 19.908371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.030391 | .39644538 |
| 2 | 2s | 7.232706 | -.84485556 |
| 3 | 3s | 8.888533 | -.28648649 |
| 4 | 4s | 33.341800 | .00096873 |
| 5 | 5s | 20.059035 | -.00737183 |
| 6 | 5s | 10.905363 | .03183466 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .378159 | < R2 > | .167445 | < 1/R > | 3.888051 | < 1/R**2 > | 61.264339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.157149 | .94880009 |
| 2 | 1s | 27.367703 | .05085195 |
| 3 | 2s | 15.465915 | .02098837 |
| 4 | 3s | 23.902616 | -.01116930 |
| 5 | 4s | 21.001703 | -.00788263 |
| 6 | 5s | 43.759073 | .00067302 |
| 7 | 5s | 11.681475 | .00014977 |
| 8 | 3s | 67.561917 | -.00006895 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085557 | < R2 > | .009806 | < 1/R > | 17.624851 | < 1/R**2 > | 625.067921 |
Total Energy= -430.39269238 a.u.
Kinetic Energy= 429.60780410 a.u.
Potential Energy= -860.00049647 a.u.
Virial Ratio = -2.00182699