(1s 2 2s 2 2p 6 3s 2 3p 4 4s 1 ) 4 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 2s | 29.843335 | -.00004623 |
| 2 | 2s | .339278 | .03364287 |
| 3 | 1s | 12.807704 | .03060391 |
| 4 | 2s | 6.980214 | -.07765738 |
| 5 | 3s | 2.687780 | .25219469 |
| 6 | 4s | .781554 | -.55578477 |
| 7 | 5s | 1.398318 | -.19875432 |
| 8 | 5s | 17.195553 | -.00149290 |
| 9 | 3s | .505672 | -.32844911 |
| 10 | 4s | 7.564547 | -.03188169 |
| ORB.ENERGY,a.u. | -.296420 | ||
| NORM | 1.000000 | < R > | 5.652116 | < R2 > | 36.523360 | < 1/R > | .222664 | < 1/R**2 > | .290571 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.561156 | .83593745 |
| 2 | 2p | 1.871758 | -1.08059389 |
| 3 | 3p | 4.222832 | -.38410483 |
| 4 | 2p | 9.664771 | .08106475 |
| 5 | 3p | 15.894600 | -.00254955 |
| 6 | 4p | 1.711897 | -.14260758 |
| 7 | 5p | 2.112867 | -.03616431 |
| 8 | 5p | 47.082121 | -.00004841 |
| 9 | 3p | .988157 | -.02505014 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.720849 | < R2 > | 3.490134 | < 1/R > | .778940 | < 1/R**2 > | 1.344496 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.607958 | 2.27659933 |
| 2 | 1s | 19.532101 | .01545938 |
| 3 | 2s | 6.301974 | -1.18188735 |
| 4 | 3s | 3.164554 | -.32424271 |
| 5 | 4s | 5.475783 | -.43091270 |
| 6 | 5s | 8.564491 | -.10133600 |
| 7 | 2s | .539688 | .00831746 |
| 8 | 3s | 47.606374 | -.00005551 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.509542 | < R2 > | 2.633592 | < 1/R > | .900825 | < 1/R**2 > | 4.711712 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398451 | .46601496 |
| 2 | 3p | 7.267732 | .51312676 |
| 3 | 4p | 5.780214 | .11692571 |
| 4 | 5p | 3.747323 | .00318069 |
| 5 | 2p | 19.414789 | .00434025 |
| 6 | 5p | 37.764084 | -.00021281 |
| 7 | 3p | 1.487100 | .00042492 |
| 8 | 4p | 104.912376 | .00000325 |
| 9 | 3p | 29.310616 | -.00015159 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405548 | < R2 > | .204102 | < 1/R > | 3.202373 | < 1/R**2 > | 14.283945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762381 | .37487099 |
| 2 | 2s | 6.932724 | -.76837501 |
| 3 | 3s | 6.440892 | -.16177962 |
| 4 | 4s | 28.118424 | .00175130 |
| 5 | 2s | 4.831186 | -.19789136 |
| 6 | 3s | 17.570170 | .00662116 |
| 7 | 4s | 2.961881 | -.00136221 |
| 8 | 5s | 1.259293 | -.00009345 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441478 | < R2 > | .230910 | < 1/R > | 3.316066 | < 1/R**2 > | 45.249402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577210 | 1.01112522 |
| 2 | 2s | 20.729404 | -.01850371 |
| 3 | 3s | 15.044819 | .01709728 |
| 4 | 4s | 62.521113 | -.00037556 |
| 5 | 4s | 8.163085 | .00126652 |
| 6 | 5s | 80.831691 | .00010693 |
| 7 | 5s | 8.242589 | -.00055056 |
| 8 | 2s | 28.331663 | -.00339270 |
| 9 | 2s | 167.560532 | .00000208 |
| 10 | 3s | 2.074013 | -.00002121 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.560007 | < 1/R**2 > | 552.995387 |
Total Energy= -459.18158241 a.u.
Kinetic Energy= 459.18520397 a.u.
Potential Energy= -918.36678639 a.u.
Virial Ratio = -1.99999211