(1s 2 2s 2 2p 6 3s 2 3p 3 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 5.819983 | .50177640 |
| 2 | 2p | 1.899420 | -1.11889922 |
| 3 | 3p | 3.470426 | -.01176832 |
| 4 | 2p | 13.686122 | .02468095 |
| 5 | 4p | 9.984045 | -.03834727 |
| 6 | 5p | 41.169461 | -.00012673 |
| 7 | 2p | 41.821252 | .00003729 |
| ORB.ENERGY,a.u. | -2.163300 | ||
| NORM | 1.000000 | < R > | 1.442606 | < R2 > | 2.430525 | < 1/R > | .939638 | < 1/R**2 > | 1.974726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.333912 | -.50403113 |
| 2 | 1s | 13.455571 | .18396227 |
| 3 | 2s | 6.451773 | -.21629842 |
| 4 | 3s | 2.965248 | 1.13751702 |
| 5 | 4s | 5.169756 | .18391749 |
| 6 | 3s | 19.917782 | .00331196 |
| 7 | 5s | 2.743457 | .09456529 |
| 8 | 4s | 59.841309 | -.00005604 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.301015 | < R2 > | 1.934658 | < 1/R > | 1.051565 | < 1/R**2 > | 6.510165 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.854900 | -.01539191 |
| 2 | 2p | 3.767515 | .06601916 |
| 3 | 2p | 15.938375 | .15413861 |
| 4 | 3p | 12.497749 | .42216497 |
| 5 | 4p | 9.799938 | .39597279 |
| 6 | 5p | 7.874853 | .12805953 |
| 7 | 5p | 17.663149 | -.00515083 |
| 8 | 3p | 44.528355 | .00005922 |
| 9 | 3p | 2.124642 | .01341997 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .375594 | < R2 > | .174821 | < 1/R > | 3.449905 | < 1/R**2 > | 16.529565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.442003 | .38601505 |
| 2 | 2s | 7.556940 | -.82694186 |
| 3 | 3s | 6.823439 | -.28882936 |
| 4 | 4s | 30.600240 | .00181275 |
| 5 | 3s | 17.025209 | .00844407 |
| 6 | 2s | 2.695353 | -.05917634 |
| 7 | 4s | 3.652797 | .02975587 |
| 8 | 5s | 2.729930 | .00128186 |
| 9 | 5s | 81.209156 | .00001128 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .411193 | < R2 > | .200014 | < 1/R > | 3.564101 | < 1/R**2 > | 52.212841 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572188 | 1.01065248 |
| 2 | 2s | 23.250758 | -.01615708 |
| 3 | 3s | 14.050940 | .01752698 |
| 4 | 4s | 35.951148 | -.00051718 |
| 5 | 4s | 11.878813 | .00190522 |
| 6 | 5s | 44.976203 | .00038938 |
| 7 | 5s | 15.686278 | -.00471929 |
| 8 | 2s | 30.219634 | -.00323816 |
| 9 | 2s | 68.588829 | .00008249 |
| 10 | 5s | 4.014052 | -.00002058 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086090 | < R2 > | .009956 | < 1/R > | 17.554999 | < 1/R**2 > | 621.222230 |
Total Energy= -523.85228221 a.u.
Kinetic Energy= 523.33310591 a.u.
Potential Energy= -1047.18538812 a.u.
Virial Ratio = -2.00099206