(1s 2 2s 1 4p 1 ) 3 P Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 6.874499 | .51102990 |
| 2 | 3p | 4.174834 | -1.01122436 |
| 3 | 5p | 3.749811 | 1.52854913 |
| 4 | 4p | 5.609109 | -.38916826 |
| 5 | 5p | 8.266799 | .08230897 |
| 6 | 4p | 18.433665 | -.00941313 |
| 7 | 5p | 39.368020 | -.00129960 |
| 8 | 4p | 54.766042 | -.00037037 |
| 9 | 3p | 2.146604 | .00904514 |
| 10 | 3p | 70.612120 | -.00003760 |
| ORB.ENERGY,a.u. | -6.299700 | ||
| NORM | 1.000000 | < R > | 1.599096 | < R2 > | 2.899756 | < 1/R > | .900673 | < 1/R**2 > | 2.222295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.685855 | .44189102 |
| 2 | 2s | 7.569778 | -.81455482 |
| 3 | 3s | 8.592520 | -.30832108 |
| 4 | 5s | 15.388919 | -.02614639 |
| 5 | 4s | 32.307277 | .00376692 |
| 6 | 5s | 44.161652 | -.00085562 |
| 7 | 5s | 3.689975 | .00207282 |
| 8 | 4s | 3.119565 | -.00177864 |
| 9 | 3s | 77.865938 | .00002115 |
| ORB.ENERGY,a.u. | -28.944000 | ||
| NORM | 1.000000 | < R > | .381928 | < R2 > | .170129 | < 1/R > | 3.869620 | < 1/R**2 > | 60.315840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.390287 | .93993094 |
| 2 | 1s | 25.982179 | .04751692 |
| 3 | 2s | 20.354324 | .01689048 |
| 4 | 3s | 9.519961 | .00058988 |
| 5 | 4s | 65.770774 | -.00047657 |
| 6 | 5s | 86.890131 | .00017968 |
| 7 | 5s | 19.619162 | .00068282 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090349 | < R2 > | .010921 | < 1/R > | 16.672431 | < 1/R**2 > | 558.890919 |
Total Energy= -314.37925774 a.u.
Kinetic Energy= 314.38575695 a.u.
Potential Energy= -628.76501470 a.u.
Virial Ratio = -1.99997933