(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 2s | .541636 | -.02034058 |
| 2 | 1s | 8.424614 | .07891709 |
| 3 | 2s | 5.688542 | -.16380631 |
| 4 | 3s | 2.718071 | .39088055 |
| 5 | 4s | 1.393967 | -2.43645690 |
| 6 | 5s | 1.049873 | 1.02188001 |
| 7 | 5s | 29.218229 | .00017114 |
| 8 | 3s | .926211 | 1.64208913 |
| 9 | 4s | 15.286002 | -.00362079 |
| 10 | 2s | 11.635286 | -.03479951 |
| ORB.ENERGY,a.u. | -.520590 | ||
| NORM | 1.000001 | < R > | 5.830452 | < R2 > | 37.932794 | < 1/R > | .233443 | < 1/R**2 > | .502660 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.897439 | .39126540 |
| 2 | 2p | 1.940018 | -.54793428 |
| 3 | 3p | 2.502635 | -.59408047 |
| 4 | 2p | 9.582714 | .10081931 |
| 5 | 3p | 15.061875 | -.00351449 |
| 6 | 4p | 1.192210 | .00348008 |
| 7 | 4p | 37.075361 | -.00020415 |
| 8 | 5p | 54.780594 | .00004710 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.461283 | < R2 > | 2.455586 | < 1/R > | .916265 | < 1/R**2 > | 1.845515 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.545808 | 2.36565078 |
| 2 | 1s | 17.628124 | .02886914 |
| 3 | 2s | 6.121103 | -1.28161850 |
| 4 | 3s | 1.362531 | -.79367269 |
| 5 | 4s | 5.187382 | -.47691488 |
| 6 | 5s | 8.233477 | -.11939500 |
| 7 | 4s | 1.504389 | .49411215 |
| 8 | 3s | 57.866458 | -.00018593 |
| 9 | 4s | 90.258485 | .00006267 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000001 | < R > | 1.369977 | < R2 > | 2.135650 | < 1/R > | .995733 | < 1/R**2 > | 5.816196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786094 | .43121869 |
| 2 | 3p | 7.644068 | .51126727 |
| 3 | 5p | 4.461688 | .00557929 |
| 4 | 4p | 6.168350 | .15885435 |
| 5 | 2p | 24.271057 | .00158707 |
| 6 | 5p | 32.464973 | -.00015830 |
| 7 | 3p | 48.873228 | .00003004 |
| 8 | 3p | 1.116144 | .00006448 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404191 | < R2 > | .202491 | < 1/R > | 3.210231 | < 1/R**2 > | 14.343900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.736083 | .37726176 |
| 2 | 2s | 6.941551 | -.76949390 |
| 3 | 3s | 6.363784 | -.16287644 |
| 4 | 4s | 27.804431 | .00179042 |
| 5 | 2s | 4.983785 | -.19721093 |
| 6 | 3s | 17.457588 | .00695919 |
| 7 | 4s | 2.627706 | -.00016082 |
| 8 | 5s | 50.579694 | .00002630 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439797 | < R2 > | .228909 | < 1/R > | 3.327904 | < 1/R**2 > | 45.543361 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01105647 |
| 2 | 2s | 20.626571 | -.01841537 |
| 3 | 3s | 15.110461 | .01701110 |
| 4 | 4s | 61.807838 | -.00038812 |
| 5 | 4s | 8.417183 | .00132178 |
| 6 | 5s | 79.744556 | .00010956 |
| 7 | 5s | 8.661827 | -.00052858 |
| 8 | 2s | 28.526916 | -.00343288 |
| 9 | 2s | 159.948069 | .00000247 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011193 | < 1/R > | 16.562323 | < 1/R**2 > | 553.114829 |
Total Energy= -455.37974373 a.u.
Kinetic Energy= 455.38139673 a.u.
Potential Energy= -910.76114047 a.u.
Virial Ratio = -1.99999637