(1s 2 2s 2 2p 6 3s 2 3p 2 4s 1 ) 2 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 8.934491 | .08579280 |
| 2 | 2s | 7.504349 | -.17681667 |
| 3 | 3s | 2.728639 | .39401788 |
| 4 | 4s | 1.126247 | -.69359910 |
| 5 | 5s | 1.644290 | -.52987615 |
| 6 | 4s | 19.143606 | .00035846 |
| 7 | 5s | 8.678544 | -.04357773 |
| 8 | 2s | 17.902144 | -.00359082 |
| 9 | 2s | .722761 | .16869252 |
| 10 | 3s | .506257 | -.00444336 |
| ORB.ENERGY,a.u. | -.798390 | ||
| NORM | 1.000000 | < R > | 3.771577 | < R2 > | 15.799434 | < 1/R > | .335970 | < 1/R**2 > | .731939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.962795 | .36619896 |
| 2 | 2p | 1.626951 | -.85571531 |
| 3 | 3p | 2.364653 | -.40576113 |
| 4 | 2p | 9.584278 | .09338150 |
| 5 | 4p | 1.999468 | .16312544 |
| 6 | 3p | 14.059831 | -.00384991 |
| 7 | 4p | 32.206907 | -.00026766 |
| 8 | 5p | 1.588728 | .01098793 |
| 9 | 5p | 99.995268 | -.00000569 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.528398 | < R2 > | 2.693957 | < 1/R > | .872371 | < 1/R**2 > | 1.672178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.481943 | 2.24911045 |
| 2 | 1s | 17.065130 | .03409076 |
| 3 | 2s | 6.039275 | -1.20714920 |
| 4 | 3s | 1.408737 | -.60338420 |
| 5 | 4s | 5.000767 | -.41605131 |
| 6 | 5s | 8.012327 | -.12681933 |
| 7 | 4s | 1.538743 | .31085147 |
| 8 | 3s | 59.072586 | -.00018013 |
| 9 | 4s | 92.104154 | .00006164 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.407003 | < R2 > | 2.256626 | < 1/R > | .966530 | < 1/R**2 > | 5.457620 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.960319 | .41277076 |
| 2 | 3p | 7.908654 | .49238474 |
| 3 | 4p | 6.542041 | .18805280 |
| 4 | 5p | 5.314019 | .01833097 |
| 5 | 5p | 34.722181 | -.00020852 |
| 6 | 3p | 2.527888 | .00147142 |
| 7 | 2p | 24.073750 | .00153210 |
| 8 | 4p | 91.350777 | .00000581 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404928 | < R2 > | .203360 | < 1/R > | 3.205948 | < 1/R**2 > | 14.311207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.750873 | .37605185 |
| 2 | 2s | 6.940154 | -.76867829 |
| 3 | 3s | 6.424844 | -.16211430 |
| 4 | 4s | 28.116692 | .00175400 |
| 5 | 2s | 4.883696 | -.19808373 |
| 6 | 3s | 17.550292 | .00677600 |
| 7 | 4s | 2.633691 | -.00053108 |
| 8 | 5s | 1.586519 | .00028830 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440576 | < R2 > | .229836 | < 1/R > | 3.322449 | < 1/R**2 > | 45.408294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578579 | 1.01106537 |
| 2 | 2s | 20.675432 | -.01842508 |
| 3 | 3s | 15.068000 | .01706158 |
| 4 | 4s | 61.945301 | -.00038984 |
| 5 | 4s | 8.169662 | .00131446 |
| 6 | 5s | 79.880208 | .00011154 |
| 7 | 5s | 8.375792 | -.00056360 |
| 8 | 2s | 28.475931 | -.00340912 |
| 9 | 2s | 165.225734 | .00000224 |
| 10 | 3s | 3.229468 | -.00003208 |
| 11 | 2s | .608052 | .00002978 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561244 | < 1/R**2 > | 553.058849 |
Total Energy= -457.41933445 a.u.
Kinetic Energy= 457.40519707 a.u.
Potential Energy= -914.82453152 a.u.
Virial Ratio = -2.00003091