(1s 2 2s 2 2p 6 3s 2 3p 1 4s 1 ) 1 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 13.716689 | .05556727 |
| 2 | 2s | 5.367657 | -.25715445 |
| 3 | 3s | 2.983735 | .22858507 |
| 4 | 4s | 1.280567 | -4.89367993 |
| 5 | 5s | 1.417578 | 2.41405089 |
| 6 | 2s | .864820 | 1.74352486 |
| 7 | 4s | 26.815035 | .00087635 |
| 8 | 3s | 12.882154 | -.00369462 |
| 9 | 5s | 73.757865 | .00002389 |
| 10 | 3s | .762533 | -.11263596 |
| ORB.ENERGY,a.u. | -.933170 | ||
| NORM | 1.000000 | < R > | 3.312809 | < R2 > | 12.194761 | < 1/R > | .392762 | < 1/R**2 > | 1.081825 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.998208 | .30685138 |
| 2 | 2p | 1.723076 | -.32254709 |
| 3 | 3p | 2.522513 | -.79972011 |
| 4 | 2p | 8.478837 | .14582321 |
| 5 | 3p | 10.923493 | -.03140000 |
| 6 | 4p | 1.778612 | .03156246 |
| 7 | 4p | 16.038763 | .00483121 |
| 8 | 3p | 34.076539 | .00004974 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.461597 | < R2 > | 2.452700 | < 1/R > | .914421 | < 1/R**2 > | 1.835856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.526410 | 2.49928772 |
| 2 | 1s | 18.117733 | .02581583 |
| 3 | 2s | 6.116087 | -1.32012083 |
| 4 | 3s | 1.528614 | -.74735830 |
| 5 | 4s | 5.122409 | -.50471549 |
| 6 | 5s | 8.203432 | -.13316096 |
| 7 | 4s | 1.646972 | .35088459 |
| 8 | 3s | 58.285916 | -.00012248 |
| 9 | 4s | 93.787324 | .00003632 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.365688 | < R2 > | 2.120109 | < 1/R > | .998603 | < 1/R**2 > | 5.850231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788694 | .43082894 |
| 2 | 3p | 7.644357 | .51163817 |
| 3 | 5p | 4.463317 | .00569352 |
| 4 | 4p | 6.163824 | .15896522 |
| 5 | 2p | 24.297050 | .00157874 |
| 6 | 5p | 32.416609 | -.00015920 |
| 7 | 3p | 48.907443 | .00002988 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404326 | < R2 > | .202647 | < 1/R > | 3.209444 | < 1/R**2 > | 14.337869 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.740934 | .37704168 |
| 2 | 2s | 6.939870 | -.76908947 |
| 3 | 3s | 6.378920 | -.16259620 |
| 4 | 4s | 27.255351 | .00187007 |
| 5 | 2s | 4.971333 | -.19733478 |
| 6 | 3s | 17.670447 | .00659780 |
| 7 | 4s | 3.788247 | -.00028758 |
| 8 | 5s | 50.684107 | .00004875 |
| 9 | 5s | 1.491163 | .00019303 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439837 | < R2 > | .228962 | < 1/R > | 3.327691 | < 1/R**2 > | 45.538754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579383 | 1.01104703 |
| 2 | 2s | 20.625225 | -.01840385 |
| 3 | 3s | 15.095929 | .01703030 |
| 4 | 4s | 61.435416 | -.00039575 |
| 5 | 4s | 8.201387 | .00133753 |
| 6 | 5s | 78.877515 | .00011272 |
| 7 | 5s | 8.347794 | -.00057982 |
| 8 | 2s | 28.577485 | -.00342405 |
| 9 | 2s | 160.945810 | .00000248 |
| 10 | 3s | .805378 | .00002691 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011194 | < 1/R > | 16.562277 | < 1/R**2 > | 553.112141 |
Total Energy= -455.80661245 a.u.
Kinetic Energy= 455.79287678 a.u.
Potential Energy= -911.59948923 a.u.
Virial Ratio = -2.00003014