(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 S Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 5.381408 | .07758136 |
| 2 | 5p | 2.434704 | -.09031397 |
| 3 | 4p | 14.226250 | .00177875 |
| 4 | 4p | 1.133491 | 1.13332021 |
| 5 | 5p | .804119 | -1.45695397 |
| 6 | 3p | 2.577673 | -.28268847 |
| 7 | 2p | 10.935716 | .01454360 |
| ORB.ENERGY,a.u. | -.473380 | ||
| NORM | 1.000000 | < R > | 7.513993 | < R2 > | 63.154537 | < 1/R > | .179232 | < 1/R**2 > | .116852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.876354 | .38060933 |
| 2 | 2p | 1.747198 | -.79682222 |
| 3 | 3p | 2.426633 | -.37710698 |
| 4 | 2p | 9.527746 | .09719768 |
| 5 | 4p | 1.941879 | .05269310 |
| 6 | 3p | 14.245321 | -.00396432 |
| 7 | 4p | 31.991094 | -.00025496 |
| 8 | 5p | .791722 | .00077966 |
| 9 | 3p | 49.699270 | -.00001554 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.524751 | < R2 > | 2.682808 | < 1/R > | .875336 | < 1/R**2 > | 1.684572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.375971 | -.33397278 |
| 2 | 1s | 12.265147 | .19703654 |
| 3 | 1s | 63.617194 | .00008114 |
| 4 | 2s | 5.673439 | -.22505432 |
| 5 | 3s | 2.697833 | .99616276 |
| 6 | 4s | 4.712175 | .11565612 |
| 7 | 3s | 36.740995 | -.00056226 |
| 8 | 5s | 2.538228 | .08256475 |
| 9 | 4s | .559824 | -.00013745 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413504 | < R2 > | 2.281247 | < 1/R > | .962552 | < 1/R**2 > | 5.412583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958107 | .41305943 |
| 2 | 3p | 7.908470 | .49211789 |
| 3 | 4p | 6.544964 | .18792471 |
| 4 | 5p | 5.329775 | .01824970 |
| 5 | 5p | 34.506064 | -.00019997 |
| 6 | 3p | 2.479155 | .00153895 |
| 7 | 2p | 24.106940 | .00153297 |
| 8 | 4p | 87.577835 | .00000678 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404828 | < R2 > | .203244 | < 1/R > | 3.206528 | < 1/R**2 > | 14.315661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753764 | .37590434 |
| 2 | 2s | 6.936722 | -.76843092 |
| 3 | 3s | 6.416866 | -.16215984 |
| 4 | 4s | 26.681234 | .00171039 |
| 5 | 2s | 4.894187 | -.19784769 |
| 6 | 3s | 17.873552 | .00648405 |
| 7 | 4s | 2.939667 | -.00051345 |
| 8 | 5s | 44.707782 | .00012064 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440593 | < R2 > | .229849 | < 1/R > | 3.322232 | < 1/R**2 > | 45.402101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578425 | 1.01107815 |
| 2 | 2s | 20.679181 | -.01844264 |
| 3 | 3s | 15.067568 | .01706270 |
| 4 | 4s | 62.040874 | -.00038881 |
| 5 | 4s | 8.154521 | .00129876 |
| 6 | 5s | 80.181540 | .00011156 |
| 7 | 5s | 8.290119 | -.00056722 |
| 8 | 2s | 28.466751 | -.00340489 |
| 9 | 2s | 162.476991 | .00000228 |
| 10 | 3s | 1.834224 | -.00000748 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561202 | < 1/R**2 > | 553.057019 |
Total Energy= -457.07025860 a.u.
Kinetic Energy= 457.08145862 a.u.
Potential Energy= -914.15171722 a.u.
Virial Ratio = -1.99997550