(1s 2 2s 2 2p 6 3s 2 3p 4 3d 1 ) 2 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | .731032 | 1.16008937 |
| 2 | 4d | .858855 | -.27004368 |
| 3 | 3d | 2.110860 | .61069954 |
| 4 | 4d | 2.580940 | -.55603938 |
| 5 | 5d | 3.057135 | .15390563 |
| 6 | 3d | 8.097291 | .00535125 |
| ORB.ENERGY,a.u. | -.429880 | ||
| NORM | 1.000000 | < R > | 4.161731 | < R2 > | 21.079013 | < 1/R > | .316250 | < 1/R**2 > | .149500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.881010 | .92694704 |
| 2 | 2p | 1.983291 | -1.17620321 |
| 3 | 3p | 4.611609 | -.45667076 |
| 4 | 2p | 10.493002 | .08100386 |
| 5 | 3p | 18.195706 | -.00188505 |
| 6 | 5p | 2.090629 | -.05484427 |
| 7 | 4p | 4.069630 | -.02196043 |
| 8 | 5p | 47.698928 | -.00003797 |
| 9 | 5p | 2.401646 | -.00346573 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.483161 | < R2 > | 2.568045 | < 1/R > | .904713 | < 1/R**2 > | 1.806473 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 3s | 1.029189 | .00230825 |
| 2 | 1s | 1.437661 | .76367062 |
| 3 | 1s | 9.992359 | .17952954 |
| 4 | 2s | 5.341956 | -.72712716 |
| 5 | 3s | 2.826188 | .52436589 |
| 6 | 4s | 5.835678 | .06821639 |
| 7 | 2s | 10.534494 | -.16804891 |
| 8 | 2s | 18.383894 | -.00547985 |
| 9 | 5s | 1.845262 | -.02600136 |
| 10 | 4s | 30.535981 | .00055323 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.348848 | < R2 > | 2.091235 | < 1/R > | 1.012976 | < 1/R**2 > | 6.021249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.898835 | .47251096 |
| 2 | 3p | 8.064288 | .47435364 |
| 3 | 4p | 6.703114 | .14358410 |
| 4 | 5p | 5.264780 | .00970894 |
| 5 | 2p | 20.005268 | .00691603 |
| 6 | 5p | 15.394989 | -.00704378 |
| 7 | 3p | 48.791794 | .00003742 |
| 8 | 3p | 2.135878 | .00160658 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375354 | < R2 > | .174436 | < 1/R > | 3.450465 | < 1/R**2 > | 16.531301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489912 | .38362047 |
| 2 | 2s | 7.544899 | -.80324895 |
| 3 | 3s | 6.939588 | -.26218423 |
| 4 | 4s | 30.444774 | .00158637 |
| 5 | 3s | 17.962873 | .00715998 |
| 6 | 2s | 4.310107 | -.08028417 |
| 7 | 5s | 3.283262 | -.01150157 |
| 8 | 4s | 2.971687 | .01404537 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411764 | < R2 > | .200650 | < 1/R > | 3.559492 | < 1/R**2 > | 52.090632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580880 | 1.00985918 |
| 2 | 2s | 22.409146 | -.01728654 |
| 3 | 3s | 14.921739 | .01753923 |
| 4 | 4s | 51.147312 | -.00050675 |
| 5 | 4s | 12.550465 | .00288859 |
| 6 | 5s | 60.167546 | .00012290 |
| 7 | 5s | 16.005043 | -.00409521 |
| 8 | 2s | 34.439556 | -.00228533 |
| 9 | 2s | 85.517933 | .00004377 |
| 10 | 5s | 3.777966 | -.00002683 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554127 | < 1/R**2 > | 621.174543 |
Total Energy= -525.59539765 a.u.
Kinetic Energy= 525.54847878 a.u.
Potential Energy= -1051.14387643 a.u.
Virial Ratio = -2.00008928