(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 2 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 4p | .563739 | .60530975 |
| 2 | 5p | .326546 | -1.14428059 |
| 3 | 3p | 2.267851 | -.04676904 |
| 4 | 2p | 5.352832 | .01160751 |
| 5 | 2p | 10.580067 | .00209250 |
| 6 | 5p | 1.833294 | -.05447620 |
| 7 | 3p | .700155 | .06485093 |
| ORB.ENERGY,a.u. | -.201600 | ||
| NORM | 1.000002 | < R > | 17.279711 | < R2 > | 335.195093 | < 1/R > | .072155 | < 1/R**2 > | .009384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.557362 | .81348760 |
| 2 | 2p | 1.818446 | -1.07992831 |
| 3 | 3p | 4.173344 | -.39404838 |
| 4 | 2p | 9.591798 | .08412988 |
| 5 | 3p | 15.140566 | -.00289995 |
| 6 | 4p | 1.692829 | -.14390789 |
| 7 | 5p | 2.009275 | -.02011492 |
| 8 | 5p | .352499 | -.01513515 |
| 9 | 4p | 34.348566 | -.00011837 |
| 10 | 3p | .351173 | .01002815 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.707435 | < R2 > | 3.441464 | < 1/R > | .783414 | < 1/R**2 > | 1.357542 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185740 | .79328995 |
| 2 | 1s | 9.575214 | .16725912 |
| 3 | 2s | 5.069229 | -.64412620 |
| 4 | 3s | 2.567540 | .46053757 |
| 5 | 4s | 5.002494 | .04049698 |
| 6 | 2s | 9.828748 | -.15339208 |
| 7 | 2s | 16.834967 | -.00694300 |
| 8 | 5s | 1.659039 | -.04699639 |
| 9 | 4s | 29.042574 | .00053543 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506639 | < R2 > | 2.618293 | < 1/R > | .901640 | < 1/R**2 > | 4.717255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398089 | .46607934 |
| 2 | 3p | 7.267663 | .51306277 |
| 3 | 4p | 5.781390 | .11689733 |
| 4 | 5p | 3.741076 | .00318689 |
| 5 | 2p | 19.418703 | .00433993 |
| 6 | 5p | 37.749223 | -.00021220 |
| 7 | 3p | 1.472068 | .00044596 |
| 8 | 4p | 103.847611 | .00000330 |
| 9 | 3p | 29.371457 | -.00015111 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405529 | < R2 > | .204081 | < 1/R > | 3.202489 | < 1/R**2 > | 14.284851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761986 | .37486552 |
| 2 | 2s | 6.932924 | -.76838689 |
| 3 | 3s | 6.439994 | -.16180114 |
| 4 | 4s | 28.146192 | .00175072 |
| 5 | 2s | 4.830172 | -.19791538 |
| 6 | 3s | 17.541455 | .00664680 |
| 7 | 4s | 2.927023 | -.00136919 |
| 8 | 5s | 1.325927 | -.00001744 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441502 | < R2 > | .230937 | < 1/R > | 3.315879 | < 1/R**2 > | 45.244599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577185 | 1.01112599 |
| 2 | 2s | 20.730942 | -.01850437 |
| 3 | 3s | 15.043915 | .01709835 |
| 4 | 4s | 62.500021 | -.00037537 |
| 5 | 4s | 8.164644 | .00126628 |
| 6 | 5s | 80.838800 | .00010689 |
| 7 | 5s | 8.243903 | -.00055029 |
| 8 | 2s | 28.331328 | -.00339261 |
| 9 | 2s | 165.831706 | .00000212 |
| 10 | 3s | 2.246434 | -.00002177 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559971 | < 1/R**2 > | 552.993691 |
Total Energy= -459.09101824 a.u.
Kinetic Energy= 459.08624684 a.u.
Potential Energy= -918.17726509 a.u.
Virial Ratio = -2.00001039