(1s 2 2s 2 2p 6 3s 2 3p 1 4s 1 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 12.553224 | .06937743 |
| 2 | 2s | 7.245420 | -.16870624 |
| 3 | 3s | 2.636921 | .69074441 |
| 4 | 4s | 1.265351 | -2.45081157 |
| 5 | 5s | 1.353875 | 1.32287599 |
| 6 | 5s | 15.515278 | -.00422951 |
| 7 | 4s | 7.471975 | -.08675480 |
| 8 | 3s | 24.300769 | .00052815 |
| 9 | 2s | .566556 | .00695202 |
| 10 | 4s | 59.599078 | -.00002808 |
| ORB.ENERGY,a.u. | -.953090 | ||
| NORM | 1.000000 | < R > | 3.227663 | < R2 > | 11.652650 | < 1/R > | .414094 | < 1/R**2 > | 1.276024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.940610 | .36424899 |
| 2 | 2p | 1.772963 | -.49429904 |
| 3 | 3p | 2.593207 | -.62929119 |
| 4 | 2p | 9.546853 | .10117714 |
| 5 | 3p | 14.434334 | -.00390291 |
| 6 | 4p | 32.130253 | -.00025954 |
| 7 | 5p | 1.666814 | .00095661 |
| 8 | 3p | 50.812121 | -.00001491 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.474550 | < R2 > | 2.507516 | < 1/R > | .909218 | < 1/R**2 > | 1.819946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.531210 | 2.42816819 |
| 2 | 1s | 17.855112 | .02730622 |
| 3 | 2s | 6.116968 | -1.29419987 |
| 4 | 3s | 1.509349 | -.70463291 |
| 5 | 4s | 5.158851 | -.48862044 |
| 6 | 5s | 8.217513 | -.12454045 |
| 7 | 4s | 1.617690 | .35452677 |
| 8 | 3s | 58.499736 | -.00014882 |
| 9 | 4s | 92.612264 | .00004748 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | .999999 | < R > | 1.375930 | < R2 > | 2.158390 | < 1/R > | .992265 | < 1/R**2 > | 5.778894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788647 | .43083243 |
| 2 | 3p | 7.644357 | .51163538 |
| 3 | 5p | 4.470923 | .00567182 |
| 4 | 4p | 6.163823 | .15896480 |
| 5 | 2p | 24.297415 | .00157880 |
| 6 | 5p | 32.413390 | -.00015926 |
| 7 | 3p | 48.904141 | .00002989 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404322 | < R2 > | .202642 | < 1/R > | 3.209452 | < 1/R**2 > | 14.337904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735563 | .37727904 |
| 2 | 2s | 6.942571 | -.76951199 |
| 3 | 3s | 6.365695 | -.16285560 |
| 4 | 4s | 27.613491 | .00177753 |
| 5 | 2s | 4.979368 | -.19725617 |
| 6 | 3s | 17.487109 | .00696212 |
| 7 | 4s | 2.959705 | -.00017904 |
| 8 | 5s | 48.908287 | .00004269 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439815 | < R2 > | .228936 | < 1/R > | 3.327838 | < 1/R**2 > | 45.542363 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579323 | 1.01105472 |
| 2 | 2s | 20.624046 | -.01841275 |
| 3 | 3s | 15.108738 | .01701268 |
| 4 | 4s | 61.937631 | -.00038895 |
| 5 | 4s | 8.423795 | .00131797 |
| 6 | 5s | 80.020819 | .00010990 |
| 7 | 5s | 8.694515 | -.00052454 |
| 8 | 2s | 28.532239 | -.00343322 |
| 9 | 2s | 161.132767 | .00000239 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011193 | < 1/R > | 16.562318 | < 1/R**2 > | 553.114179 |
Total Energy= -455.80734567 a.u.
Kinetic Energy= 455.81270028 a.u.
Potential Energy= -911.62004595 a.u.
Virial Ratio = -1.99998825