(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 S Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p | 2.549658 | -.23537458 |
| 2 | 4p | 1.178989 | 1.73675427 |
| 3 | 5p | .962841 | -1.92604593 |
| 4 | 3p | 2.828503 | -.17418140 |
| 5 | 2p | 11.859347 | .00645038 |
| 6 | 2p | 5.550147 | .05599098 |
| 7 | 4p | 16.912400 | .00064099 |
| ORB.ENERGY,a.u. | -.439980 | ||
| NORM | .999998 | < R > | 6.614905 | < R2 > | 48.657799 | < 1/R > | .186225 | < 1/R**2 > | .074633 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 1.291035 | .38119711 |
| 2 | 2p | 5.417557 | .32498913 |
| 3 | 2p | .697500 | -.40142288 |
| 4 | 3p | 2.552609 | -1.01518328 |
| 5 | 2p | 10.138022 | .07998477 |
| 6 | 3p | 18.952551 | -.00170171 |
| 7 | 5p | 80.764487 | .00000845 |
| 8 | 5p | .536059 | .04413066 |
| 9 | 3p | .423833 | -.06865045 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.451307 | < R2 > | 2.643232 | < 1/R > | .942068 | < 1/R**2 > | 1.952319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.395520 | -.35535651 |
| 2 | 1s | 12.217392 | .20736339 |
| 3 | 1s | 59.544166 | .00010394 |
| 4 | 2s | 5.541085 | -.24186236 |
| 5 | 3s | 2.818315 | 1.06103159 |
| 6 | 4s | 4.785479 | .07513927 |
| 7 | 3s | 36.168582 | -.00058074 |
| 8 | 5s | 2.716157 | .07158774 |
| 9 | 2s | .354598 | -.00016521 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.370327 | < R2 > | 2.136505 | < 1/R > | .995266 | < 1/R**2 > | 5.809272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786258 | .43121172 |
| 2 | 3p | 7.644065 | .51127013 |
| 3 | 5p | 4.444455 | .00561150 |
| 4 | 4p | 6.168683 | .15885527 |
| 5 | 2p | 24.264752 | .00158777 |
| 6 | 5p | 32.457318 | -.00015830 |
| 7 | 3p | 48.953908 | .00002997 |
| 8 | 3p | 1.296791 | .00007825 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404194 | < R2 > | .202499 | < 1/R > | 3.210236 | < 1/R**2 > | 14.344020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735961 | .37720901 |
| 2 | 2s | 6.941048 | -.76947729 |
| 3 | 3s | 6.359936 | -.16290571 |
| 4 | 4s | 27.745080 | .00179031 |
| 5 | 2s | 4.984625 | -.19719930 |
| 6 | 3s | 17.440153 | .00697262 |
| 7 | 4s | 3.028711 | -.00017878 |
| 8 | 5s | 50.087967 | .00003256 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439860 | < R2 > | .228980 | < 1/R > | 3.327406 | < 1/R**2 > | 45.530512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01107014 |
| 2 | 2s | 20.627067 | -.01843023 |
| 3 | 3s | 15.108616 | .01701361 |
| 4 | 4s | 61.804795 | -.00038792 |
| 5 | 4s | 8.431165 | .00131859 |
| 6 | 5s | 79.855579 | .00010946 |
| 7 | 5s | 8.671027 | -.00052738 |
| 8 | 2s | 28.526568 | -.00343293 |
| 9 | 2s | 157.288588 | .00000253 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091274 | < R2 > | .011194 | < 1/R > | 16.562220 | < 1/R**2 > | 553.109699 |
Total Energy= -455.31751624 a.u.
Kinetic Energy= 455.30151251 a.u.
Potential Energy= -910.61902875 a.u.
Virial Ratio = -2.00003515