(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 D Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p | 2.497619 | -.17540165 |
| 2 | 4p | 1.228612 | 1.64606490 |
| 3 | 5p | .977896 | -1.82817278 |
| 4 | 3p | 2.563728 | -.23755463 |
| 5 | 2p | 11.557399 | .00787070 |
| 6 | 2p | 5.572759 | .05814254 |
| 7 | 4p | 15.919225 | .00084287 |
| ORB.ENERGY,a.u. | -.451900 | ||
| NORM | .999999 | < R > | 6.456291 | < R2 > | 46.410578 | < 1/R > | .192210 | < 1/R**2 > | .083185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 1.311006 | .45835177 |
| 2 | 2p | 5.388140 | .32633212 |
| 3 | 2p | .732566 | -.50551531 |
| 4 | 3p | 2.564550 | -.98251602 |
| 5 | 2p | 10.106784 | .08106202 |
| 6 | 3p | 18.597193 | -.00165744 |
| 7 | 5p | .552019 | .04026261 |
| 8 | 5p | 36.713759 | -.00006484 |
| 9 | 3p | .439602 | -.06497515 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.459277 | < R2 > | 2.690659 | < 1/R > | .939593 | < 1/R**2 > | 1.944132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.390410 | -.35563391 |
| 2 | 1s | 12.213909 | .20731310 |
| 3 | 1s | 57.849166 | .00011338 |
| 4 | 2s | 5.553190 | -.24114107 |
| 5 | 3s | 2.818316 | 1.05855431 |
| 6 | 4s | 4.761104 | .07656617 |
| 7 | 3s | 35.976010 | -.00057282 |
| 8 | 5s | 2.718084 | .07252233 |
| 9 | 2s | .388981 | -.00018523 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.370445 | < R2 > | 2.136927 | < 1/R > | .995191 | < 1/R**2 > | 5.808432 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786107 | .43122936 |
| 2 | 3p | 7.644089 | .51124627 |
| 3 | 5p | 4.454789 | .00557532 |
| 4 | 4p | 6.169054 | .15884740 |
| 5 | 2p | 24.260186 | .00158869 |
| 6 | 5p | 32.429030 | -.00015844 |
| 7 | 3p | 49.091774 | .00002992 |
| 8 | 3p | 1.483131 | .00011302 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404186 | < R2 > | .202488 | < 1/R > | 3.210275 | < 1/R**2 > | 14.344292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.736006 | .37720694 |
| 2 | 2s | 6.941027 | -.76947382 |
| 3 | 3s | 6.359978 | -.16290654 |
| 4 | 4s | 27.738294 | .00178927 |
| 5 | 2s | 4.984557 | -.19719913 |
| 6 | 3s | 17.442980 | .00697036 |
| 7 | 4s | 3.026494 | -.00017400 |
| 8 | 5s | 49.924366 | .00003321 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439860 | < R2 > | .228979 | < 1/R > | 3.327404 | < 1/R**2 > | 45.530469 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01107012 |
| 2 | 2s | 20.627319 | -.01843000 |
| 3 | 3s | 15.108616 | .01701320 |
| 4 | 4s | 61.805549 | -.00038783 |
| 5 | 4s | 8.432503 | .00131848 |
| 6 | 5s | 79.865328 | .00010943 |
| 7 | 5s | 8.672403 | -.00052709 |
| 8 | 2s | 28.526567 | -.00343293 |
| 9 | 2s | 157.032069 | .00000254 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091274 | < R2 > | .011194 | < 1/R > | 16.562219 | < 1/R**2 > | 553.109668 |
Total Energy= -455.31863619 a.u.
Kinetic Energy= 455.31344626 a.u.
Potential Energy= -910.63208245 a.u.
Virial Ratio = -2.00001140