(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 3p | .873854 | -1.96858666 |
| 2 | 4p | 1.266583 | 2.79590841 |
| 3 | 5p | .971097 | -1.05544147 |
| 4 | 3p | 2.523294 | -.32105849 |
| 5 | 2p | 12.158263 | .01177688 |
| 6 | 2p | 5.701834 | .09829847 |
| 7 | 4p | 17.542906 | .00350179 |
| 8 | 5p | 24.056707 | -.00093529 |
| 9 | 4p | .625138 | .01174952 |
| 10 | 3p | 46.436062 | .00002193 |
| ORB.ENERGY,a.u. | -.464240 | ||
| NORM | .999996 | < R > | 6.315636 | < R2 > | 44.614617 | < 1/R > | .216031 | < 1/R**2 > | .171593 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 9.738073 | .09422897 |
| 2 | 3p | 16.026119 | -.00271612 |
| 3 | 4p | 33.820740 | -.00012589 |
| 4 | 2p | 5.039962 | .36761040 |
| 5 | 2p | 1.915114 | -.40617468 |
| 6 | 3p | 2.520443 | -.71280111 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.456576 | < R2 > | 2.439795 | < 1/R > | .919715 | < 1/R**2 > | 1.860053 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.386116 | -.35603370 |
| 2 | 1s | 12.222350 | .20713749 |
| 3 | 1s | 61.039544 | .00009637 |
| 4 | 2s | 5.546481 | -.24115816 |
| 5 | 3s | 2.817977 | 1.05829497 |
| 6 | 4s | 4.773936 | .07750621 |
| 7 | 3s | 36.364296 | -.00058493 |
| 8 | 5s | 2.718856 | .07275120 |
| 9 | 2s | .301733 | -.00016898 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.370588 | < R2 > | 2.137438 | < 1/R > | .995103 | < 1/R**2 > | 5.807503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786211 | .43121667 |
| 2 | 3p | 7.644010 | .51127257 |
| 3 | 5p | 4.444248 | .00561767 |
| 4 | 4p | 6.168504 | .15885676 |
| 5 | 2p | 24.267159 | .00158743 |
| 6 | 5p | 32.446594 | -.00015848 |
| 7 | 3p | 48.908338 | .00003000 |
| 8 | 3p | .464836 | .00010848 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404193 | < R2 > | .202496 | < 1/R > | 3.210236 | < 1/R**2 > | 14.344005 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735958 | .37720792 |
| 2 | 2s | 6.941047 | -.76948490 |
| 3 | 3s | 6.359825 | -.16290229 |
| 4 | 4s | 27.729956 | .00178922 |
| 5 | 2s | 4.984386 | -.19719990 |
| 6 | 3s | 17.443802 | .00697052 |
| 7 | 4s | 3.005697 | -.00016522 |
| 8 | 5s | 49.866268 | .00003382 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439861 | < R2 > | .228980 | < 1/R > | 3.327396 | < 1/R**2 > | 45.530248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106997 |
| 2 | 2s | 20.627319 | -.01843000 |
| 3 | 3s | 15.108616 | .01701361 |
| 4 | 4s | 61.799447 | -.00038797 |
| 5 | 4s | 8.430960 | .00131862 |
| 6 | 5s | 79.845831 | .00010950 |
| 7 | 5s | 8.671133 | -.00052747 |
| 8 | 2s | 28.526219 | -.00343289 |
| 9 | 2s | 157.308827 | .00000253 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091274 | < R2 > | .011194 | < 1/R > | 16.562217 | < 1/R**2 > | 553.109546 |
Total Energy= -455.31572819 a.u.
Kinetic Energy= 455.32578191 a.u.
Potential Energy= -910.64151010 a.u.
Virial Ratio = -1.99997792