(1s 2 2s 2 2p 3 ) 2 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 6.597124 | 1.16264254 |
| 2 | 3p | 8.052642 | -.18579136 |
| 3 | 2p | 15.672774 | .02193009 |
| 4 | 4p | 17.978410 | .00418316 |
| 5 | 5p | 37.909016 | -.00023639 |
| 6 | 5p | 5.011454 | .00210749 |
| 7 | 4p | 3.927174 | -.00115620 |
| ORB.ENERGY,a.u. | -19.095000 | ||
| NORM | 1.000000 | < R > | .362824 | < R2 > | .160288 | < 1/R > | 3.508080 | < 1/R**2 > | 16.784069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.429756 | .41737780 |
| 2 | 2s | 7.367214 | -.86227845 |
| 3 | 3s | 7.263510 | -.28703063 |
| 4 | 4s | 28.863424 | .00192682 |
| 5 | 3s | 15.806122 | .01440180 |
| 6 | 5s | 7.314891 | -.01596038 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .411966 | < R2 > | .199166 | < 1/R > | 3.560024 | < 1/R**2 > | 51.568957 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.044673 | .92497251 |
| 2 | 1s | 24.468626 | .07410587 |
| 3 | 2s | 15.258431 | .01960250 |
| 4 | 3s | 19.926465 | -.01471457 |
| 5 | 5s | 40.335097 | .00090877 |
| 6 | 4s | 19.728601 | -.00138275 |
| 7 | 5s | 13.001815 | .00070375 |
| 8 | 3s | 69.544010 | -.00006390 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090887 | < R2 > | .011077 | < 1/R > | 16.606869 | < 1/R**2 > | 555.422549 |
Total Energy= -400.66752101 a.u.
Kinetic Energy= 400.23837745 a.u.
Potential Energy= -800.90589846 a.u.
Virial Ratio = -2.00107222