(1s 2 2s 2 2p 6 3s 2 3p 4 5s 1 ) 4 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 2.747852 | .15646802 |
| 2 | 2s | 6.404257 | -.16870546 |
| 3 | 3s | 2.225790 | .11555676 |
| 4 | 4s | .705317 | -.38096044 |
| 5 | 5s | .419919 | .73024752 |
| 6 | 5s | 7.056944 | -.03360955 |
| 7 | 3s | .767870 | -.44329073 |
| 8 | 2s | .259688 | .54894876 |
| 9 | 3s | 10.465811 | .01529067 |
| 10 | 3s | 59.355598 | -.00001393 |
| ORB.ENERGY,a.u. | -.217400 | ||
| NORM | 1.000001 | < R > | 13.081032 | < R2 > | 192.771785 | < 1/R > | .100579 | < 1/R**2 > | .076313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | .279743 | .00051034 |
| 2 | 2p | 3.579955 | .83239518 |
| 3 | 2p | 1.878100 | -1.07344641 |
| 4 | 3p | 4.242105 | -.37746191 |
| 5 | 2p | 9.692655 | .08043999 |
| 6 | 3p | 15.900694 | -.00240862 |
| 7 | 4p | 1.646690 | -.14838388 |
| 8 | 5p | 2.274202 | -.05257167 |
| 9 | 4p | 34.013895 | -.00009377 |
| 10 | 3p | 2.854738 | -.00873894 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.710745 | < R2 > | 3.438008 | < 1/R > | .782124 | < 1/R**2 > | 1.353860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.569710 | 2.05318569 |
| 2 | 1s | 17.309422 | .02697029 |
| 3 | 2s | 6.250140 | -1.08617659 |
| 4 | 3s | 3.462057 | -.27379390 |
| 5 | 4s | 5.571479 | -.32254366 |
| 6 | 5s | 8.400484 | -.08192406 |
| 7 | 3s | 50.807230 | -.00027048 |
| 8 | 2s | .331793 | -.00728195 |
| 9 | 4s | 73.934990 | .00007855 |
| 10 | 2s | 138.321161 | -.00000376 |
| 11 | 5s | .795836 | .00558764 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.507061 | < R2 > | 2.621126 | < 1/R > | .901584 | < 1/R**2 > | 4.717351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398173 | .46606501 |
| 2 | 3p | 7.267681 | .51307734 |
| 3 | 4p | 5.781087 | .11690417 |
| 4 | 5p | 3.741514 | .00318689 |
| 5 | 2p | 19.417846 | .00433990 |
| 6 | 5p | 37.753392 | -.00021237 |
| 7 | 3p | 1.479976 | .00043884 |
| 8 | 4p | 104.081864 | .00000329 |
| 9 | 3p | 29.359855 | -.00015118 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405533 | < R2 > | .204086 | < 1/R > | 3.202463 | < 1/R**2 > | 14.284651 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762046 | .37486995 |
| 2 | 2s | 6.932974 | -.76838929 |
| 3 | 3s | 6.440322 | -.16179803 |
| 4 | 4s | 28.136297 | .00174950 |
| 5 | 2s | 4.830022 | -.19791774 |
| 6 | 3s | 17.550717 | .00664363 |
| 7 | 4s | 2.916344 | -.00135622 |
| 8 | 5s | 1.315586 | -.00002816 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441494 | < R2 > | .230928 | < 1/R > | 3.315939 | < 1/R**2 > | 45.246122 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577195 | 1.01112565 |
| 2 | 2s | 20.730519 | -.01850405 |
| 3 | 3s | 15.044216 | .01709800 |
| 4 | 4s | 62.504517 | -.00037544 |
| 5 | 4s | 8.163767 | .00126646 |
| 6 | 5s | 80.833436 | .00010691 |
| 7 | 5s | 8.243107 | -.00055044 |
| 8 | 2s | 28.331328 | -.00339262 |
| 9 | 2s | 166.384070 | .00000211 |
| 10 | 3s | 2.207560 | -.00002158 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559984 | < 1/R**2 > | 552.994315 |
Total Energy= -459.10563636 a.u.
Kinetic Energy= 459.10650241 a.u.
Potential Energy= -918.21213877 a.u.
Virial Ratio = -1.99999811