(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 S Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 5p | .547233 | -.01037588 |
| 2 | 5p | 1.683827 | .75383617 |
| 3 | 4p | 3.955890 | -.81737134 |
| 4 | 2p | 7.693879 | .19134489 |
| 5 | 5p | 2.942108 | -1.09113009 |
| 6 | 4p | .935265 | -.64598512 |
| 7 | 3p | 1.652551 | 1.75486078 |
| 8 | 2p | 17.062007 | .00341160 |
| 9 | 4p | 47.129557 | .00004892 |
| 10 | 2p | .490919 | .11261812 |
| ORB.ENERGY,a.u. | -.773420 | ||
| NORM | 1.000000 | < R > | 2.811084 | < R2 > | 9.441832 | < 1/R > | .533190 | < 1/R**2 > | .923821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 8.548648 | .08656542 |
| 2 | 3p | 12.051517 | -.00698160 |
| 3 | 4p | .498806 | .30038748 |
| 4 | 5p | .472689 | -.27234132 |
| 5 | 4p | 34.716594 | -.00011353 |
| 6 | 3p | .301835 | .25054073 |
| 7 | 2p | .218552 | -.11122837 |
| 8 | 2p | 1.957506 | 1.36746279 |
| 9 | 2p | .656159 | -2.74767997 |
| 10 | 5p | 1.722794 | 1.74741919 |
| 11 | 3p | 3.061761 | -1.17047125 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | .999999 | < R > | 5.302471 | < R2 > | 32.610462 | < 1/R > | .322029 | < 1/R**2 > | .485806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 4s | .685980 | .00012132 |
| 2 | 1s | 3.164076 | -.23260854 |
| 3 | 1s | 12.572501 | .18291309 |
| 4 | 1s | 143.795318 | .00000818 |
| 5 | 2s | 5.979318 | -.32221879 |
| 6 | 3s | 2.716779 | .95181995 |
| 7 | 4s | 4.098626 | .20766120 |
| 8 | 3s | 42.281522 | -.00090831 |
| 9 | 5s | 1.950593 | .00485048 |
| 10 | 4s | 60.204555 | .00023114 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.341831 | < R2 > | 2.045805 | < 1/R > | 1.018944 | < 1/R**2 > | 6.105899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.371022 | .46794796 |
| 2 | 3p | 7.357248 | .49817806 |
| 3 | 5p | 3.873497 | .00345999 |
| 4 | 4p | 5.942884 | .12661530 |
| 5 | 2p | 16.730483 | .00654323 |
| 6 | 5p | 34.199972 | -.00041572 |
| 7 | 4p | 1.520376 | -.00359131 |
| 8 | 5p | 1.088468 | .00254026 |
| 9 | 3p | 56.750281 | .00010061 |
| 10 | 2p | 75.968092 | .00002267 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .402710 | < R2 > | .200997 | < 1/R > | 3.220769 | < 1/R**2 > | 14.429881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 4s | 27.812077 | .00194779 |
| 2 | 2s | 5.090830 | -.19654851 |
| 3 | 3s | 17.288248 | .00712655 |
| 4 | 4s | 2.731393 | .00023906 |
| 5 | 5s | 58.506720 | .00002379 |
| 6 | 1s | 13.706936 | .37916022 |
| 7 | 2s | 6.952722 | -.77092904 |
| 8 | 3s | 6.282828 | -.16395271 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .438932 | < R2 > | .227938 | < 1/R > | 3.334356 | < 1/R**2 > | 45.698673 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580768 | 1.01102148 |
| 2 | 2s | 20.467714 | -.01835481 |
| 3 | 3s | 15.232465 | .01686760 |
| 4 | 4s | 61.018424 | -.00039772 |
| 5 | 4s | 9.045225 | .00135590 |
| 6 | 5s | 78.707313 | .00010692 |
| 7 | 5s | 9.630043 | -.00046244 |
| 8 | 2s | 28.806438 | -.00351244 |
| 9 | 2s | 148.457411 | .00000326 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091250 | < R2 > | .011186 | < 1/R > | 16.564567 | < 1/R**2 > | 553.218385 |
Total Energy= -454.18950706 a.u.
Kinetic Energy= 455.96749842 a.u.
Potential Energy= -910.15700547 a.u.
Virial Ratio = -1.99610062