(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 2 F Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 5d- electron | |
| 1 | 3d | .546460 | .63174428 |
| 2 | 4d | .557785 | -2.03272596 |
| 3 | 5d | .437758 | 1.80663748 |
| 4 | 3d | 1.240336 | .15523164 |
| 5 | 3d | 2.146457 | .17503645 |
| 6 | 4d | 2.428875 | -.08045422 |
| 7 | 5d | 5.979353 | .00980051 |
| 8 | 3d | 6.717639 | .00970798 |
| ORB.ENERGY,a.u. | -.282160 | ||
| NORM | 1.000007 | < R > | 14.038542 | < R2 > | 225.451009 | < 1/R > | .109746 | < 1/R**2 > | .038213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.911031 | .91726727 |
| 2 | 2p | 1.989463 | -1.16789243 |
| 3 | 3p | 4.617168 | -.45354776 |
| 4 | 2p | 10.525186 | .08019422 |
| 5 | 3p | 18.423744 | -.00179211 |
| 6 | 5p | 2.200605 | -.05644972 |
| 7 | 4p | 3.659001 | -.02127932 |
| 8 | 5p | 2.217347 | .00085249 |
| 9 | 5p | 46.637418 | -.00003854 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.475216 | < R2 > | 2.535874 | < 1/R > | .908328 | < 1/R**2 > | 1.817736 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437609 | .76771189 |
| 2 | 1s | 9.982247 | .18041108 |
| 3 | 2s | 5.339240 | -.73130184 |
| 4 | 3s | 2.824976 | .52700152 |
| 5 | 4s | 5.842872 | .06926175 |
| 6 | 2s | 10.543833 | -.16890380 |
| 7 | 2s | 18.446066 | -.00536955 |
| 8 | 5s | 1.920070 | -.03212668 |
| 9 | 4s | 30.464179 | .00056119 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.343436 | < R2 > | 2.071852 | < 1/R > | 1.016621 | < 1/R**2 > | 6.064028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897529 | .47265175 |
| 2 | 3p | 8.064387 | .47420529 |
| 3 | 4p | 6.705450 | .14351540 |
| 4 | 5p | 5.301350 | .00961098 |
| 5 | 2p | 20.012816 | .00691713 |
| 6 | 5p | 15.408446 | -.00705591 |
| 7 | 3p | 48.522625 | .00003735 |
| 8 | 3p | 2.264720 | .00148031 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375297 | < R2 > | .174357 | < 1/R > | 3.450691 | < 1/R**2 > | 16.532702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489599 | .38362329 |
| 2 | 2s | 7.544841 | -.80325531 |
| 3 | 3s | 6.939101 | -.26219185 |
| 4 | 4s | 30.431913 | .00159551 |
| 5 | 3s | 17.942561 | .00716091 |
| 6 | 2s | 4.311171 | -.08028254 |
| 7 | 5s | 3.285680 | -.01148362 |
| 8 | 4s | 2.972538 | .01404104 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411771 | < R2 > | .200655 | < 1/R > | 3.559413 | < 1/R**2 > | 52.088411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580830 | 1.00986008 |
| 2 | 2s | 22.411151 | -.01728752 |
| 3 | 3s | 14.920461 | .01754095 |
| 4 | 4s | 51.133784 | -.00050665 |
| 5 | 4s | 12.552447 | .00288796 |
| 6 | 5s | 60.165600 | .00012283 |
| 7 | 5s | 16.004729 | -.00409520 |
| 8 | 2s | 34.437533 | -.00228506 |
| 9 | 2s | 85.515781 | .00004381 |
| 10 | 5s | 3.800800 | -.00002723 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554064 | < 1/R**2 > | 621.170966 |
Total Energy= -525.40270533 a.u.
Kinetic Energy= 525.40044260 a.u.
Potential Energy= -1050.80314793 a.u.
Virial Ratio = -2.00000431