(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 1 P Ar 4+
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 | 13.680044 | .04591249 |
| 2 | 2s | 9.281599 | -.11264720 |
| 3 | 3s | 2.706435 | .57100140 |
| 4 | 4s | 1.529075 | -2.16656571 |
| 5 | 5s | 1.321367 | 1.95385898 |
| 6 | 4s | 8.645068 | -.08052029 |
| 7 | 5s | 33.318706 | .00010056 |
| 8 | 3s | .859821 | .40214390 |
| 9 | 2s | 15.786149 | .01225868 |
| 10 | 2s | .513237 | -.05669542 |
| 11 | 3s | 16.213804 | .00740388 |
| 12 | 4s | .438180 | .00320592 |
| ORB.ENERGY,a.u. | -.758970 | ||
| NORM | 1.000001 | < R > | 4.991841 | < R2 > | 27.804103 | < 1/R > | .272966 | < 1/R**2 > | .681394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.238333 | .45048121 |
| 2 | 2p | 2.028531 | -.44012777 |
| 3 | 3p | 3.083942 | -.94189357 |
| 4 | 2p | 10.569891 | .09094233 |
| 5 | 3p | 18.292642 | -.00188342 |
| 6 | 4p | 4.266425 | .20194750 |
| 7 | 5p | 1.374789 | -.04074063 |
| 8 | 4p | 34.685444 | -.00012248 |
| 9 | 4p | 1.237026 | .04942898 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.294597 | < R2 > | 1.925161 | < 1/R > | 1.038928 | < 1/R**2 > | 2.360943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.674117 | 2.76390710 |
| 2 | 1s | 20.299464 | .01941568 |
| 3 | 2s | 6.599257 | -1.44871502 |
| 4 | 3s | 1.848758 | -.85972867 |
| 5 | 4s | 5.639045 | -.56257846 |
| 6 | 5s | 9.017725 | -.12876156 |
| 7 | 4s | 1.999158 | .30798733 |
| 8 | 3s | 52.740543 | -.00006287 |
| 9 | 5s | 1.450456 | .01002581 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000001 | < R > | 1.233407 | < R2 > | 1.728760 | < 1/R > | 1.113969 | < 1/R**2 > | 7.343177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.421889 | .43608390 |
| 2 | 3p | 8.302338 | .49274504 |
| 3 | 5p | 5.968352 | .01533080 |
| 4 | 4p | 6.977141 | .15771553 |
| 5 | 2p | 23.591212 | .00213826 |
| 6 | 5p | 41.920205 | -.00014402 |
| 7 | 3p | 3.136645 | .00168591 |
| 8 | 4p | 118.620987 | .00000179 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373758 | < R2 > | .172677 | < 1/R > | 3.461109 | < 1/R**2 > | 16.618183 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.332636 | .39155834 |
| 2 | 2s | 7.642678 | -.82725664 |
| 3 | 3s | 7.019091 | -.29737737 |
| 4 | 4s | 26.135064 | .00365814 |
| 5 | 3s | 13.083771 | .01105915 |
| 6 | 4s | 6.262879 | -.03851312 |
| 7 | 5s | 4.633597 | -.00036920 |
| 8 | 4s | 36.884134 | .00056433 |
| 9 | 2s | 48.623794 | -.00008349 |
| 10 | 3s | .498433 | -.00007708 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409919 | < R2 > | .198610 | < 1/R > | 3.574508 | < 1/R**2 > | 52.489938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586130 | 1.00955693 |
| 2 | 2s | 22.932326 | -.01618792 |
| 3 | 3s | 15.909170 | .01520448 |
| 4 | 4s | 32.644473 | -.00071722 |
| 5 | 4s | 11.942704 | .00373806 |
| 6 | 5s | 43.287918 | .00038396 |
| 7 | 5s | 14.134104 | -.00252051 |
| 8 | 2s | 31.097172 | -.00307128 |
| 9 | 2s | 64.121461 | .00012027 |
| 10 | 5s | 8.274298 | -.00000712 |
| 11 | 3s | .397492 | -.00001641 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086075 | < R2 > | .009952 | < 1/R > | 17.557092 | < 1/R**2 > | 621.337097 |
Total Energy= -519.75670853 a.u.
Kinetic Energy= 519.75086681 a.u.
Potential Energy= -1039.50757534 a.u.
Virial Ratio = -2.00001124