(1s 2 2s 2 2p 6 3s 2 3p 4 5s 1 ) 2 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 1s | 13.349029 | .01204331 |
| 2 | 2s | 5.879685 | -.04511990 |
| 3 | 3s | 2.866583 | .07110063 |
| 4 | 4s | 1.131117 | -.16948885 |
| 5 | 5s | .378582 | .49649736 |
| 6 | 5s | 8.401779 | -.00256273 |
| 7 | 3s | .541405 | -1.75636374 |
| 8 | 2s | .310104 | 1.80484536 |
| 9 | 4s | 27.696208 | .00014413 |
| ORB.ENERGY,a.u. | -.215110 | ||
| NORM | 1.000002 | < R > | 13.605681 | < R2 > | 208.450203 | < 1/R > | .095118 | < 1/R**2 > | .055017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.578796 | .83314953 |
| 2 | 2p | 1.877402 | -1.07439667 |
| 3 | 3p | 4.237425 | -.38120734 |
| 4 | 2p | 9.691253 | .08053063 |
| 5 | 3p | 16.091663 | -.00245185 |
| 6 | 4p | 1.729937 | -.14221623 |
| 7 | 5p | 2.164572 | -.03568678 |
| 8 | 5p | 47.475473 | -.00004321 |
| 9 | 3p | 1.279104 | -.02485163 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.709323 | < R2 > | 3.430826 | < 1/R > | .782550 | < 1/R**2 > | 1.355046 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 16.143371 | .04249081 |
| 2 | 2s | 5.981733 | -1.02860189 |
| 3 | 3s | 1.333512 | -.04252287 |
| 4 | 4s | 4.886628 | -.28989510 |
| 5 | 5s | 7.805915 | -.11493718 |
| 6 | 3s | 53.982886 | -.00026580 |
| 7 | 2s | 1.033097 | .01398624 |
| 8 | 4s | 79.451286 | .00008562 |
| 9 | 2s | 166.940559 | -.00000263 |
| 10 | 5s | .370810 | .00283145 |
| 11 | 1s | 1.481535 | 1.78963517 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.505876 | < R2 > | 2.616599 | < 1/R > | .902089 | < 1/R**2 > | 4.722000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398198 | .46606179 |
| 2 | 3p | 7.267682 | .51308093 |
| 3 | 4p | 5.781012 | .11690612 |
| 4 | 5p | 3.738408 | .00319210 |
| 5 | 2p | 19.417853 | .00433979 |
| 6 | 5p | 37.752476 | -.00021237 |
| 7 | 3p | 1.479709 | .00043823 |
| 8 | 4p | 104.105032 | .00000329 |
| 9 | 3p | 29.357009 | -.00015122 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405535 | < R2 > | .204088 | < 1/R > | 3.202456 | < 1/R**2 > | 14.284608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761983 | .37486958 |
| 2 | 2s | 6.932977 | -.76838612 |
| 3 | 3s | 6.440478 | -.16179820 |
| 4 | 4s | 28.149351 | .00175037 |
| 5 | 2s | 4.830017 | -.19791674 |
| 6 | 3s | 17.541007 | .00664649 |
| 7 | 4s | 2.932613 | -.00137284 |
| 8 | 5s | .331316 | -.00005406 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441498 | < R2 > | .230934 | < 1/R > | 3.315912 | < 1/R**2 > | 45.245481 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577192 | 1.01112573 |
| 2 | 2s | 20.730677 | -.01850409 |
| 3 | 3s | 15.044044 | .01709818 |
| 4 | 4s | 62.504695 | -.00037541 |
| 5 | 4s | 8.162807 | .00126686 |
| 6 | 5s | 80.835424 | .00010690 |
| 7 | 5s | 8.241478 | -.00055057 |
| 8 | 2s | 28.331285 | -.00339262 |
| 9 | 2s | 166.205423 | .00000211 |
| 10 | 3s | 2.305494 | -.00002181 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559979 | < 1/R**2 > | 552.994086 |
Total Energy= -459.10554729 a.u.
Kinetic Energy= 459.10422868 a.u.
Potential Energy= -918.20977597 a.u.
Virial Ratio = -2.00000287