(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 4 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 1.299578 | 1.10960122 |
| 2 | 4d | 1.402567 | -.58198987 |
| 3 | 3d | 2.622836 | .90194014 |
| 4 | 4d | 3.174920 | -.49768837 |
| 5 | 5d | 3.633894 | .07806846 |
| 6 | 3d | 8.029140 | .01787011 |
| 7 | 4d | 46.446529 | .00000771 |
| ORB.ENERGY,a.u. | -1.380500 | ||
| NORM | 1.000000 | < R > | 1.730048 | < R2 > | 3.596413 | < 1/R > | .720471 | < 1/R**2 > | .679560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.270304 | .44129581 |
| 2 | 2p | 2.068739 | -.82990975 |
| 3 | 3p | 2.825761 | -.36689180 |
| 4 | 2p | 10.482920 | .08737529 |
| 5 | 4p | 4.304039 | .05555602 |
| 6 | 3p | 18.251377 | -.00204161 |
| 7 | 5p | 2.537108 | -.03805723 |
| 8 | 4p | 1.959624 | .00951352 |
| 9 | 5p | 47.274015 | -.00004188 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.382669 | < R2 > | 2.208626 | < 1/R > | .969653 | < 1/R**2 > | 2.065270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.124722 | -.39046321 |
| 2 | 1s | 13.016643 | .20072212 |
| 3 | 1s | 68.982856 | .00007022 |
| 4 | 2s | 6.350867 | -.21930291 |
| 5 | 3s | 2.903351 | 1.01549586 |
| 6 | 4s | 5.081856 | .17793419 |
| 7 | 3s | 39.509596 | -.00051157 |
| 8 | 5s | 2.648831 | .06448078 |
| 9 | 2s | 1.419835 | -.00440064 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.296485 | < R2 > | 1.920513 | < 1/R > | 1.055323 | < 1/R**2 > | 6.556085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.961625 | -.01948157 |
| 2 | 2p | 3.754930 | .06583441 |
| 3 | 2p | 15.935359 | .15456248 |
| 4 | 3p | 12.497946 | .42311393 |
| 5 | 4p | 9.798008 | .39687023 |
| 6 | 5p | 7.867633 | .12846935 |
| 7 | 5p | 17.664539 | -.00501176 |
| 8 | 3p | 44.812314 | .00005736 |
| 9 | 3p | 2.217963 | .01326665 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374752 | < R2 > | .173823 | < 1/R > | 3.455140 | < 1/R**2 > | 16.571914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.436476 | .38653937 |
| 2 | 2s | 7.561482 | -.82641989 |
| 3 | 3s | 6.828544 | -.28584048 |
| 4 | 4s | 30.583307 | .00176345 |
| 5 | 3s | 17.181899 | .00839395 |
| 6 | 2s | 3.147009 | -.05210154 |
| 7 | 4s | 3.828142 | .01940317 |
| 8 | 5s | 2.922222 | -.00156149 |
| 9 | 4s | 2.036079 | .00132615 |
| 10 | 3s | 1.397696 | -.00046129 |
| 11 | 5s | 80.587006 | .00000881 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410887 | < R2 > | .199696 | < 1/R > | 3.566861 | < 1/R**2 > | 52.287800 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.573112 | 1.01063796 |
| 2 | 2s | 23.202589 | -.01613478 |
| 3 | 3s | 14.070688 | .01749263 |
| 4 | 4s | 35.469224 | -.00051473 |
| 5 | 4s | 11.822428 | .00191250 |
| 6 | 5s | 44.512255 | .00039417 |
| 7 | 5s | 15.707700 | -.00471804 |
| 8 | 2s | 30.315898 | -.00325424 |
| 9 | 2s | 68.317653 | .00008482 |
| 10 | 5s | 3.594684 | -.00001004 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086081 | < R2 > | .009953 | < 1/R > | 17.556258 | < 1/R**2 > | 621.292159 |
Total Energy= -522.93918620 a.u.
Kinetic Energy= 522.88727811 a.u.
Potential Energy= -1045.82646432 a.u.
Virial Ratio = -2.00009927