(1s 2 2s 2 2p 6 3s 2 3p 3 ) 2 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 5.085748 | .51629550 |
| 2 | 2p | 2.034035 | -1.05066828 |
| 3 | 3p | 2.463391 | -.13235146 |
| 4 | 2p | 11.348643 | .06714704 |
| 5 | 4p | 7.060513 | -.04252822 |
| 6 | 5p | 19.098001 | .00236765 |
| 7 | 4p | 43.692568 | -.00008448 |
| ORB.ENERGY,a.u. | -2.242000 | ||
| NORM | 1.000000 | < R > | 1.405389 | < R2 > | 2.286757 | < 1/R > | .954029 | < 1/R**2 > | 2.001622 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.348621 | -.49910446 |
| 2 | 1s | 13.459467 | .18344767 |
| 3 | 2s | 6.436523 | -.21602662 |
| 4 | 3s | 2.959735 | 1.13549812 |
| 5 | 4s | 5.190405 | .18087857 |
| 6 | 3s | 19.960247 | .00327730 |
| 7 | 5s | 2.748399 | .09388456 |
| 8 | 4s | 59.636483 | -.00005674 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.303368 | < R2 > | 1.941405 | < 1/R > | 1.049114 | < 1/R**2 > | 6.475637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.823540 | -.01798707 |
| 2 | 2p | 3.785031 | .06642963 |
| 3 | 2p | 15.939137 | .15421893 |
| 4 | 3p | 12.497811 | .42242621 |
| 5 | 4p | 9.800190 | .39623333 |
| 6 | 5p | 7.876212 | .12810804 |
| 7 | 5p | 17.649099 | -.00519342 |
| 8 | 3p | 44.359945 | .00005999 |
| 9 | 3p | 2.097858 | .01303310 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374991 | < R2 > | .174032 | < 1/R > | 3.452857 | < 1/R**2 > | 16.550751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.442314 | .38591310 |
| 2 | 2s | 7.555860 | -.82692969 |
| 3 | 3s | 6.823257 | -.28878745 |
| 4 | 4s | 30.318671 | .00197606 |
| 5 | 3s | 16.840291 | .00835676 |
| 6 | 2s | 2.682607 | -.05955768 |
| 7 | 4s | 3.634561 | .03003130 |
| 8 | 5s | 2.702466 | .00129247 |
| 9 | 4s | 58.604160 | .00003234 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .411292 | < R2 > | .200121 | < 1/R > | 3.563263 | < 1/R**2 > | 52.190449 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572061 | 1.01065366 |
| 2 | 2s | 23.259442 | -.01615884 |
| 3 | 3s | 14.046916 | .01753369 |
| 4 | 4s | 36.023986 | -.00051768 |
| 5 | 4s | 11.878149 | .00190662 |
| 6 | 5s | 45.056599 | .00038856 |
| 7 | 5s | 15.679823 | -.00472220 |
| 8 | 2s | 30.201892 | -.00323553 |
| 9 | 2s | 68.640764 | .00008209 |
| 10 | 5s | 4.173510 | -.00002244 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009956 | < 1/R > | 17.554808 | < 1/R**2 > | 621.211687 |
Total Energy= -523.86461698 a.u.
Kinetic Energy= 523.74621756 a.u.
Potential Energy= -1047.61083455 a.u.
Virial Ratio = -2.00022606