(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 D Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | .723889 | .62696457 |
| 2 | 5p | 1.323702 | .59540146 |
| 3 | 4p | 3.804086 | -.31736810 |
| 4 | 2p | 7.336427 | .11346706 |
| 5 | 5p | 2.838149 | -.31656846 |
| 6 | 3p | 10.035225 | -.01546379 |
| 7 | 4p | 32.049576 | -.00015570 |
| 8 | 3p | .642234 | -.05310531 |
| ORB.ENERGY,a.u. | -.704830 | ||
| NORM | 1.000000 | < R > | 4.131839 | < R2 > | 19.087394 | < 1/R > | .312664 | < 1/R**2 > | .277212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.943401 | .35121057 |
| 2 | 2p | 1.486580 | -.87071103 |
| 3 | 3p | 2.580315 | -.41218099 |
| 4 | 2p | 9.441160 | .09922670 |
| 5 | 4p | 1.786882 | .20650213 |
| 6 | 3p | 13.177887 | -.00513512 |
| 7 | 4p | 31.351711 | -.00034317 |
| 8 | 5p | .845157 | -.00061166 |
| 9 | 5p | 94.707237 | -.00000871 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.529096 | < R2 > | 2.703116 | < 1/R > | .873949 | < 1/R**2 > | 1.681158 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.477527 | -.32407780 |
| 2 | 1s | 12.237591 | .19797443 |
| 3 | 1s | 59.683716 | .00009946 |
| 4 | 2s | 5.725021 | -.22106372 |
| 5 | 3s | 2.605172 | .98817804 |
| 6 | 4s | 4.617947 | .14601685 |
| 7 | 3s | 36.096945 | -.00056340 |
| 8 | 5s | 2.310878 | .04076717 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.416319 | < R2 > | 2.291377 | < 1/R > | .960669 | < 1/R**2 > | 5.390928 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.974665 | .41188410 |
| 2 | 3p | 7.917198 | .49241083 |
| 3 | 4p | 6.573182 | .18576504 |
| 4 | 5p | 5.525301 | .01884626 |
| 5 | 5p | 29.965139 | -.00029402 |
| 6 | 3p | 3.073503 | .00428744 |
| 7 | 2p | 23.017892 | .00163470 |
| 8 | 4p | 34.571287 | -.00023928 |
| 9 | 4p | .732386 | -.00007184 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404908 | < R2 > | .203338 | < 1/R > | 3.206075 | < 1/R**2 > | 14.312251 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753742 | .37585197 |
| 2 | 2s | 6.936466 | -.76837784 |
| 3 | 3s | 6.414492 | -.16216773 |
| 4 | 4s | 26.603856 | .00172003 |
| 5 | 2s | 4.894281 | -.19784173 |
| 6 | 3s | 17.871738 | .00648422 |
| 7 | 4s | 3.214509 | -.00060788 |
| 8 | 5s | 45.042645 | .00012288 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440662 | < R2 > | .229930 | < 1/R > | 3.321751 | < 1/R**2 > | 45.390162 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578355 | 1.01107948 |
| 2 | 2s | 20.682321 | -.01844382 |
| 3 | 3s | 15.065535 | .01706514 |
| 4 | 4s | 62.009893 | -.00038841 |
| 5 | 4s | 8.159825 | .00129693 |
| 6 | 5s | 80.166756 | .00011152 |
| 7 | 5s | 8.295964 | -.00056665 |
| 8 | 2s | 28.465524 | -.00340468 |
| 9 | 2s | 160.472664 | .00000234 |
| 10 | 3s | 1.908504 | -.00000774 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561106 | < 1/R**2 > | 553.052061 |
Total Energy= -457.29883994 a.u.
Kinetic Energy= 457.31282197 a.u.
Potential Energy= -914.61166191 a.u.
Virial Ratio = -1.99996943