(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 2 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 1.262934 | 1.20636686 |
| 2 | 4d | 1.348407 | -.53363790 |
| 3 | 3d | 2.694476 | .76900325 |
| 4 | 4d | 3.172583 | -.46631857 |
| 5 | 5d | 3.510487 | .06050158 |
| 6 | 3d | 8.353819 | .01349558 |
| 7 | 4d | 68.524968 | .00000186 |
| ORB.ENERGY,a.u. | -1.217800 | ||
| NORM | 1.000000 | < R > | 1.937604 | < R2 > | 4.559365 | < 1/R > | .655973 | < 1/R**2 > | .579067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.274614 | .44888788 |
| 2 | 2p | 2.089483 | -.82700349 |
| 3 | 3p | 2.852180 | -.36727419 |
| 4 | 2p | 10.514384 | .08740536 |
| 5 | 4p | 4.288439 | .05301539 |
| 6 | 3p | 18.937751 | -.00192964 |
| 7 | 5p | 2.506459 | -.04572090 |
| 8 | 4p | 1.950385 | .01019152 |
| 9 | 4p | 89.452793 | .00000442 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.375554 | < R2 > | 2.187975 | < 1/R > | .977323 | < 1/R**2 > | 2.104018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 6.391854 | -.21717910 |
| 2 | 3s | 2.922095 | 1.02763207 |
| 3 | 4s | 5.077204 | .18222302 |
| 4 | 3s | 39.894796 | -.00051283 |
| 5 | 5s | 2.679824 | .06248320 |
| 6 | 1s | 3.004328 | -.40838087 |
| 7 | 1s | 13.033046 | .20043510 |
| 8 | 1s | 71.486122 | .00006308 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.292015 | < R2 > | 1.906757 | < 1/R > | 1.059407 | < 1/R**2 > | 6.610753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.979165 | -.01910344 |
| 2 | 2p | 3.759806 | .06582749 |
| 3 | 2p | 15.935740 | .15452829 |
| 4 | 3p | 12.497915 | .42305798 |
| 5 | 4p | 9.798063 | .39681616 |
| 6 | 5p | 7.868351 | .12843767 |
| 7 | 5p | 17.665826 | -.00502035 |
| 8 | 3p | 44.794716 | .00005744 |
| 9 | 3p | 2.233623 | .01324723 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374807 | < R2 > | .173893 | < 1/R > | 3.454813 | < 1/R**2 > | 16.569248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.437351 | .38652915 |
| 2 | 2s | 7.560751 | -.82641520 |
| 3 | 3s | 6.829839 | -.28582448 |
| 4 | 4s | 30.536466 | .00178823 |
| 5 | 3s | 17.165265 | .00834524 |
| 6 | 2s | 3.151201 | -.05200253 |
| 7 | 4s | 3.837573 | .01935670 |
| 8 | 5s | 2.909898 | -.00134166 |
| 9 | 4s | 1.976117 | .00104869 |
| 10 | 3s | 1.311476 | -.00035288 |
| 11 | 5s | 79.190279 | .00001034 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410849 | < R2 > | .199649 | < 1/R > | 3.567118 | < 1/R**2 > | 52.294289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.573042 | 1.01063952 |
| 2 | 2s | 23.204876 | -.01613673 |
| 3 | 3s | 14.069089 | .01749554 |
| 4 | 4s | 35.471838 | -.00051482 |
| 5 | 4s | 11.828622 | .00191090 |
| 6 | 5s | 44.513003 | .00039405 |
| 7 | 5s | 15.706828 | -.00471827 |
| 8 | 2s | 30.312755 | -.00325385 |
| 9 | 2s | 68.298730 | .00008486 |
| 10 | 5s | 3.566861 | -.00001023 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086082 | < R2 > | .009954 | < 1/R > | 17.556174 | < 1/R**2 > | 621.287408 |
Total Energy= -522.92206678 a.u.
Kinetic Energy= 522.72422063 a.u.
Potential Energy= -1045.64628741 a.u.
Virial Ratio = -2.00037849