(1s 2 2s 2 2p 4 3p 1 ) 4 S Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 5.924593 | .46360163 |
| 2 | 3p | 3.669248 | -.93803758 |
| 3 | 4p | 4.144835 | -.23613916 |
| 4 | 2p | 11.189082 | .08739822 |
| 5 | 5p | 18.664410 | .00286289 |
| 6 | 5p | 47.267138 | -.00020094 |
| 7 | 4p | 72.141153 | -.00003258 |
| 8 | 5p | 3.440670 | -.00679249 |
| ORB.ENERGY,a.u. | -6.594800 | ||
| NORM | 1.000000 | < R > | 1.053948 | < R2 > | 1.269853 | < 1/R > | 1.285479 | < 1/R**2 > | 3.493624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.509173 | 1.13205391 |
| 2 | 3p | 7.289369 | -.20779999 |
| 3 | 2p | 13.650392 | .07164630 |
| 4 | 4p | 16.121191 | .01040554 |
| 5 | 5p | 46.352513 | -.00012252 |
| 6 | 5p | 4.168765 | -.00040030 |
| ORB.ENERGY,a.u. | -18.486000 | ||
| NORM | 1.000000 | < R > | .348327 | < R2 > | .148171 | < 1/R > | 3.666058 | < 1/R**2 > | 18.394280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.201992 | .41315555 |
| 2 | 2s | 7.787988 | -.85897441 |
| 3 | 3s | 7.377486 | -.30011831 |
| 4 | 4s | 12.527458 | .00445291 |
| 5 | 3s | 17.248176 | .01452106 |
| 6 | 5s | 39.139906 | .00068056 |
| 7 | 5s | 7.015178 | -.01116088 |
| 8 | 4s | 4.720515 | -.00016491 |
| 9 | 3s | 73.208804 | -.00002434 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .394248 | < R2 > | .182792 | < 1/R > | 3.720935 | < 1/R**2 > | 56.514507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.133332 | .92054510 |
| 2 | 1s | 24.670626 | .07567103 |
| 3 | 2s | 11.452274 | .01992138 |
| 4 | 3s | 13.793158 | -.02003066 |
| 5 | 4s | 16.443673 | .00909221 |
| 6 | 5s | 43.825960 | .00069540 |
| 7 | 4s | 102.458054 | -.00002697 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085863 | < R2 > | .009891 | < 1/R > | 17.584422 | < 1/R**2 > | 622.838143 |
Total Energy= -479.55736739 a.u.
Kinetic Energy= 479.50236100 a.u.
Potential Energy= -959.05972839 a.u.
Virial Ratio = -2.00011472