(1s 2 2s 2 2p 6 3s 2 3p 4 4d 1 ) 4 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | 1.019101 | .35514061 |
| 2 | 4d | .631298 | -.74026420 |
| 3 | 3d | 2.233817 | .42264573 |
| 4 | 4d | 3.199696 | -.13190569 |
| 5 | 5d | 2.805606 | -.09961968 |
| 6 | 5d | .610872 | -.36748043 |
| 7 | 3d | 7.848035 | .00590827 |
| ORB.ENERGY,a.u. | -.346790 | ||
| NORM | 1.000000 | < R > | 7.756267 | < R2 > | 69.618519 | < 1/R > | .188803 | < 1/R**2 > | .082586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.893804 | .92255274 |
| 2 | 2p | 1.986967 | -1.17260028 |
| 3 | 3p | 4.612644 | -.45552731 |
| 4 | 2p | 10.501857 | .08067357 |
| 5 | 3p | 18.121420 | -.00187247 |
| 6 | 5p | 2.187983 | -.05709086 |
| 7 | 4p | 3.869831 | -.02053017 |
| 8 | 5p | .812359 | .00055778 |
| 9 | 5p | 47.627644 | -.00004406 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.478599 | < R2 > | 2.548278 | < 1/R > | .906263 | < 1/R**2 > | 1.809696 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.436485 | .76684166 |
| 2 | 1s | 10.008354 | .17944983 |
| 3 | 2s | 5.340454 | -.72839393 |
| 4 | 3s | 2.819393 | .52469049 |
| 5 | 4s | 5.813125 | .06969995 |
| 6 | 2s | 10.533496 | -.16836152 |
| 7 | 2s | 18.458536 | -.00540095 |
| 8 | 5s | 1.902634 | -.03068025 |
| 9 | 4s | 30.478612 | .00054829 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.345383 | < R2 > | 2.078418 | < 1/R > | 1.015146 | < 1/R**2 > | 6.045812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897544 | .47266868 |
| 2 | 3p | 8.064448 | .47419152 |
| 3 | 4p | 6.705367 | .14351088 |
| 4 | 5p | 5.302506 | .00960783 |
| 5 | 2p | 20.012197 | .00691710 |
| 6 | 5p | 15.407112 | -.00705488 |
| 7 | 3p | 48.556680 | .00003733 |
| 8 | 3p | 2.270642 | .00147624 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375291 | < R2 > | .174351 | < 1/R > | 3.450752 | < 1/R**2 > | 16.533273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489754 | .38361851 |
| 2 | 2s | 7.544872 | -.80325036 |
| 3 | 3s | 6.939131 | -.26219053 |
| 4 | 4s | 30.451911 | .00159356 |
| 5 | 3s | 17.948095 | .00716004 |
| 6 | 2s | 4.310687 | -.08028479 |
| 7 | 5s | 3.288364 | -.01147527 |
| 8 | 4s | 2.974624 | .01402454 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411772 | < R2 > | .200658 | < 1/R > | 3.559416 | < 1/R**2 > | 52.088590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580857 | 1.00985958 |
| 2 | 2s | 22.410091 | -.01728696 |
| 3 | 3s | 14.921107 | .01754005 |
| 4 | 4s | 51.141030 | -.00050669 |
| 5 | 4s | 12.551341 | .00288830 |
| 6 | 5s | 60.166206 | .00012288 |
| 7 | 5s | 16.004921 | -.00409520 |
| 8 | 2s | 34.438644 | -.00228520 |
| 9 | 2s | 85.515813 | .00004379 |
| 10 | 5s | 3.786768 | -.00002703 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554098 | < 1/R**2 > | 621.172892 |
Total Energy= -525.46653221 a.u.
Kinetic Energy= 525.46523669 a.u.
Potential Energy= -1050.93176890 a.u.
Virial Ratio = -2.00000247