(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 2 F Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 1.287198 | 1.17421633 |
| 2 | 4d | 1.382760 | -.57462239 |
| 3 | 3d | 2.653866 | .85082803 |
| 4 | 4d | 3.172233 | -.49785529 |
| 5 | 5d | 3.579876 | .06849266 |
| 6 | 3d | 8.234835 | .01531594 |
| 7 | 4d | 59.766610 | .00000317 |
| ORB.ENERGY,a.u. | -1.302900 | ||
| NORM | 1.000000 | < R > | 1.816221 | < R2 > | 3.986279 | < 1/R > | .692773 | < 1/R**2 > | .636146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.397517 | .40866028 |
| 2 | 2p | 1.934158 | -.82480190 |
| 3 | 3p | 2.710570 | -.35996583 |
| 4 | 2p | 10.513288 | .08661752 |
| 5 | 4p | 2.446958 | .04511162 |
| 6 | 3p | 18.906038 | -.00193894 |
| 7 | 4p | 88.566311 | .00000428 |
| 8 | 5p | 1.983244 | .01088343 |
| 9 | 3p | .693186 | -.00009843 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.380356 | < R2 > | 2.202635 | < 1/R > | .972668 | < 1/R**2 > | 2.081417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.094421 | -.39559083 |
| 2 | 1s | 13.026008 | .20079383 |
| 3 | 1s | 72.072459 | .00006155 |
| 4 | 2s | 6.349352 | -.21930344 |
| 5 | 3s | 2.913909 | 1.01665573 |
| 6 | 4s | 5.083548 | .17824352 |
| 7 | 3s | 39.952322 | -.00051345 |
| 8 | 5s | 2.679233 | .06399121 |
| 9 | 2s | .494341 | -.00008753 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.294518 | < R2 > | 1.914471 | < 1/R > | 1.057128 | < 1/R**2 > | 6.580296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.970626 | -.01928246 |
| 2 | 2p | 3.757441 | .06583006 |
| 3 | 2p | 15.935499 | .15454653 |
| 4 | 3p | 12.497921 | .42308483 |
| 5 | 4p | 9.797981 | .39684217 |
| 6 | 5p | 7.867827 | .12845129 |
| 7 | 5p | 17.665516 | -.00501430 |
| 8 | 3p | 44.810926 | .00005738 |
| 9 | 3p | 2.226058 | .01325704 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374782 | < R2 > | .173861 | < 1/R > | 3.454968 | < 1/R**2 > | 16.570540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.437275 | .38651911 |
| 2 | 2s | 7.560963 | -.82641342 |
| 3 | 3s | 6.828860 | -.28583093 |
| 4 | 4s | 30.580463 | .00175208 |
| 5 | 3s | 17.206799 | .00837526 |
| 6 | 2s | 3.148424 | -.05204519 |
| 7 | 4s | 3.837242 | .01935084 |
| 8 | 5s | 2.906322 | -.00127539 |
| 9 | 4s | 1.964847 | .00099186 |
| 10 | 3s | 1.301504 | -.00033494 |
| 11 | 5s | 79.774752 | .00000839 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410870 | < R2 > | .199674 | < 1/R > | 3.566981 | < 1/R**2 > | 52.290840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.573081 | 1.01063878 |
| 2 | 2s | 23.203229 | -.01613588 |
| 3 | 3s | 14.070151 | .01749400 |
| 4 | 4s | 35.469845 | -.00051478 |
| 5 | 4s | 11.824829 | .00191192 |
| 6 | 5s | 44.512566 | .00039413 |
| 7 | 5s | 15.707437 | -.00471819 |
| 8 | 2s | 30.314799 | -.00325418 |
| 9 | 2s | 68.311701 | .00008483 |
| 10 | 5s | 3.589023 | -.00001012 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086081 | < R2 > | .009954 | < 1/R > | 17.556224 | < 1/R**2 > | 621.290199 |
Total Energy= -522.93428110 a.u.
Kinetic Energy= 522.80949914 a.u.
Potential Energy= -1045.74378024 a.u.
Virial Ratio = -2.00023868