(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 1 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 7.209103 | .09547799 |
| 2 | 2s | 8.262818 | -.15276057 |
| 3 | 3s | 2.701814 | .32485861 |
| 4 | 4s | 1.382576 | -2.92562827 |
| 5 | 5s | 1.002879 | .85079347 |
| 6 | 4s | 7.754081 | -.06286528 |
| 7 | 5s | 32.040508 | .00012315 |
| 8 | 3s | .938473 | 2.33847823 |
| 9 | 2s | 21.936480 | -.00061934 |
| 10 | 2s | .320369 | -.11730694 |
| 11 | 4s | .417204 | .06194982 |
| ORB.ENERGY,a.u. | -.514050 | ||
| NORM | .999997 | < R > | 5.898385 | < R2 > | 38.822844 | < 1/R > | .228827 | < 1/R**2 > | .464384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.053154 | .30241834 |
| 2 | 2p | 1.355424 | -.39661739 |
| 3 | 3p | 2.584742 | -.81022523 |
| 4 | 2p | 8.420498 | .14617617 |
| 5 | 3p | 10.457902 | -.03728450 |
| 6 | 4p | 1.674997 | .13803242 |
| 7 | 4p | 15.028639 | .00553194 |
| 8 | 3p | 50.131440 | .00001016 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.459561 | < R2 > | 2.449171 | < 1/R > | .916974 | < 1/R**2 > | 1.847442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.515081 | 2.52330244 |
| 2 | 1s | 18.118006 | .02576909 |
| 3 | 2s | 6.113429 | -1.32041032 |
| 4 | 3s | 1.604852 | -.69538749 |
| 5 | 4s | 5.117462 | -.50714991 |
| 6 | 5s | 8.204849 | -.13339411 |
| 7 | 4s | 1.713052 | .26597172 |
| 8 | 3s | 58.403054 | -.00012271 |
| 9 | 5s | 1.103200 | .00570843 |
| 10 | 4s | 94.016644 | .00003661 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.368333 | < R2 > | 2.130546 | < 1/R > | .997015 | < 1/R**2 > | 5.831786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786099 | .43121882 |
| 2 | 3p | 7.644064 | .51126782 |
| 3 | 5p | 4.459146 | .00558518 |
| 4 | 4p | 6.168341 | .15885452 |
| 5 | 2p | 24.271256 | .00158701 |
| 6 | 5p | 32.468411 | -.00015828 |
| 7 | 3p | 48.863592 | .00003005 |
| 8 | 3p | 1.092890 | .00006162 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404192 | < R2 > | .202492 | < 1/R > | 3.210230 | < 1/R**2 > | 14.343903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735784 | .37727007 |
| 2 | 2s | 6.940792 | -.76946367 |
| 3 | 3s | 6.359329 | -.16289013 |
| 4 | 4s | 27.507894 | .00182157 |
| 5 | 2s | 4.989698 | -.19713732 |
| 6 | 3s | 17.489643 | .00686912 |
| 7 | 4s | 3.353417 | -.00021632 |
| 8 | 5s | 49.856362 | .00004653 |
| 9 | 5s | .722495 | -.00007173 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439801 | < R2 > | .228915 | < 1/R > | 3.327872 | < 1/R**2 > | 45.542584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01105562 |
| 2 | 2s | 20.627073 | -.01841445 |
| 3 | 3s | 15.109907 | .01701171 |
| 4 | 4s | 61.817647 | -.00038833 |
| 5 | 4s | 8.416463 | .00132170 |
| 6 | 5s | 79.744551 | .00010958 |
| 7 | 5s | 8.637326 | -.00053090 |
| 8 | 2s | 28.524826 | -.00343263 |
| 9 | 2s | 161.162563 | .00000245 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011193 | < 1/R > | 16.562310 | < 1/R**2 > | 553.114158 |
Total Energy= -455.37966574 a.u.
Kinetic Energy= 455.37486926 a.u.
Potential Energy= -910.75453500 a.u.
Virial Ratio = -2.00001053