(1s 2 2s 2 2p 6 3s 2 3p 2 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 5.760201 | .36136906 |
| 2 | 2p | 2.232770 | -.31003666 |
| 3 | 3p | 2.696344 | -.72048138 |
| 4 | 2p | 10.768988 | .07780282 |
| 5 | 3p | 19.733756 | -.00162366 |
| 6 | 4p | 2.392037 | -.04696462 |
| 7 | 5p | 4.851598 | -.03298229 |
| 8 | 4p | 79.148190 | .00000636 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.340745 | < R2 > | 2.069555 | < 1/R > | 1.000222 | < 1/R**2 > | 2.190343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.384252 | -.50985095 |
| 2 | 1s | 13.438094 | .19049943 |
| 3 | 2s | 6.358261 | -.23096637 |
| 4 | 3s | 3.028123 | 1.18994615 |
| 5 | 4s | 5.208206 | .15819363 |
| 6 | 3s | 19.866501 | .00343953 |
| 7 | 5s | 2.868646 | .06420708 |
| 8 | 4s | 60.447144 | -.00005595 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.267377 | < R2 > | 1.829483 | < 1/R > | 1.080996 | < 1/R**2 > | 6.893945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.437681 | .43400587 |
| 2 | 3p | 8.302424 | .49472559 |
| 3 | 5p | 5.870402 | .01594986 |
| 4 | 4p | 6.961031 | .15839677 |
| 5 | 2p | 23.583974 | .00210265 |
| 6 | 5p | 41.945950 | -.00015440 |
| 7 | 3p | 2.772100 | .00163303 |
| 8 | 4p | 132.305487 | .00000149 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .374376 | < R2 > | .173347 | < 1/R > | 3.456892 | < 1/R**2 > | 16.583530 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.399041 | .38818086 |
| 2 | 2s | 7.569476 | -.83364943 |
| 3 | 3s | 6.850707 | -.29838044 |
| 4 | 4s | 29.008618 | .00256653 |
| 5 | 3s | 15.561777 | .00812548 |
| 6 | 4s | 5.745452 | -.02228591 |
| 7 | 5s | 3.148826 | -.00021249 |
| 8 | 5s | 61.283182 | .00003276 |
| 9 | 2s | 46.201670 | -.00006110 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410682 | < R2 > | .199446 | < 1/R > | 3.568211 | < 1/R**2 > | 52.321815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585181 | 1.00957376 |
| 2 | 2s | 22.976716 | -.01621082 |
| 3 | 3s | 15.879593 | .01523663 |
| 4 | 4s | 33.157088 | -.00071588 |
| 5 | 4s | 11.963194 | .00372378 |
| 6 | 5s | 43.810321 | .00038189 |
| 7 | 5s | 14.123200 | -.00252144 |
| 8 | 2s | 31.029415 | -.00305473 |
| 9 | 2s | 64.252471 | .00011821 |
| 10 | 5s | 4.726370 | -.00001604 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555808 | < 1/R**2 > | 621.266643 |
Total Energy= -521.71010650 a.u.
Kinetic Energy= 521.71012093 a.u.
Potential Energy= -1043.42022743 a.u.
Virial Ratio = -1.99999997