(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 D Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 4p- electron | |
| 1 | 2p | 1.193998 | .60385773 |
| 2 | 5p | 1.805482 | .72103249 |
| 3 | 4p | 4.758203 | -.22909641 |
| 4 | 2p | 9.317782 | .03459085 |
| 5 | 5p | 3.484521 | -.37205013 |
| 6 | 3p | 16.500308 | -.00068642 |
| ORB.ENERGY,a.u. | -1.183300 | ||
| NORM | 1.000000 | < R > | 3.122969 | < R2 > | 10.543508 | < 1/R > | .354902 | < 1/R**2 > | .181151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 10.813438 | .08829637 |
| 2 | 2p | 5.827500 | .37261101 |
| 3 | 3p | 2.848794 | -1.21354468 |
| 4 | 4p | 1.302775 | .62567315 |
| 5 | 5p | 1.391299 | -.35665874 |
| 6 | 3p | 20.567218 | -.00162619 |
| 7 | 4p | 65.959560 | .00001330 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.232079 | < R2 > | 1.862259 | < 1/R > | 1.123022 | < 1/R**2 > | 2.753924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.192286 | -.21223251 |
| 2 | 1s | 12.929589 | .21910741 |
| 3 | 1s | 63.196532 | .00009776 |
| 4 | 2s | 5.741450 | -.37909583 |
| 5 | 3s | 2.732137 | 1.20656106 |
| 6 | 4s | 5.011340 | .12918426 |
| 7 | 3s | 38.786984 | -.00053468 |
| 8 | 5s | 3.147574 | -.21346488 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.238529 | < R2 > | 1.743832 | < 1/R > | 1.108987 | < 1/R**2 > | 7.275377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.426061 | .43559223 |
| 2 | 3p | 8.302515 | .49322033 |
| 3 | 5p | 5.939758 | .01548585 |
| 4 | 4p | 6.973347 | .15788706 |
| 5 | 2p | 23.584811 | .00212702 |
| 6 | 5p | 41.824409 | -.00015003 |
| 7 | 3p | 3.079216 | .00165036 |
| 8 | 4p | 125.517807 | .00000165 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373898 | < R2 > | .172830 | < 1/R > | 3.460184 | < 1/R**2 > | 16.610723 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329477 | .39151679 |
| 2 | 2s | 7.641240 | -.82721815 |
| 3 | 3s | 7.017415 | -.29737624 |
| 4 | 4s | 25.948277 | .00359020 |
| 5 | 3s | 12.998974 | .01116349 |
| 6 | 4s | 6.257036 | -.03865930 |
| 7 | 5s | 5.143794 | -.00056521 |
| 8 | 4s | 36.162571 | .00060842 |
| 9 | 2s | 46.324618 | -.00010309 |
| 10 | 3s | .999680 | .00003373 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410099 | < R2 > | .198800 | < 1/R > | 3.572943 | < 1/R**2 > | 52.447507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585887 | 1.00956109 |
| 2 | 2s | 22.944160 | -.01619353 |
| 3 | 3s | 15.901093 | .01521229 |
| 4 | 4s | 32.641003 | -.00071726 |
| 5 | 4s | 11.951397 | .00373331 |
| 6 | 5s | 43.226307 | .00038377 |
| 7 | 5s | 14.120057 | -.00252375 |
| 8 | 2s | 31.083615 | -.00306883 |
| 9 | 2s | 64.039157 | .00012076 |
| 10 | 5s | 3.577420 | -.00000325 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086077 | < R2 > | .009952 | < 1/R > | 17.556758 | < 1/R**2 > | 621.318808 |
Total Energy= -520.18253626 a.u.
Kinetic Energy= 520.16136732 a.u.
Potential Energy= -1040.34390358 a.u.
Virial Ratio = -2.00004070