(1s 2 2s 2 2p 6 3s 2 3p 5 5p 1 ) 1 D Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 3p | .812888 | .25946184 |
| 2 | 2p | 5.521449 | .03301109 |
| 3 | 2p | 11.273924 | .00448795 |
| 4 | 4p | 37.012131 | -.00002622 |
| 5 | 2p | 1.992906 | -.07783423 |
| 6 | 2p | .216689 | -.36698154 |
| 7 | 4p | .584362 | .63174257 |
| 8 | 5p | .343876 | -.89445322 |
| 9 | 3p | 1.161389 | -.10083344 |
| ORB.ENERGY,a.u. | -.044363 | ||
| NORM | 1.000001 | < R > | 16.132492 | < R2 > | 293.916745 | < 1/R > | .080575 | < 1/R**2 > | .018330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.189149 | .29654538 |
| 2 | 2p | 1.652700 | -.93337523 |
| 3 | 3p | 3.193233 | -.17686041 |
| 4 | 2p | 7.923242 | .18167789 |
| 5 | 3p | 9.708242 | -.05978608 |
| 6 | 4p | 27.926230 | -.00063848 |
| 7 | 4p | 1.114507 | -.01680688 |
| 8 | 5p | 63.480485 | -.00002227 |
| 9 | 3p | .240422 | -.00135624 |
| 10 | 5p | 1.073046 | .00856475 |
| 11 | 2p | 70.216409 | .00000642 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.558604 | < R2 > | 2.861333 | < 1/R > | .863290 | < 1/R**2 > | 1.652289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286450 | .81283082 |
| 2 | 1s | 10.257170 | .17094175 |
| 3 | 2s | 5.407648 | -.67769932 |
| 4 | 3s | 2.827630 | .45080493 |
| 5 | 4s | 5.546255 | .05904642 |
| 6 | 2s | 10.383940 | -.15251343 |
| 7 | 2s | 16.738709 | -.00918388 |
| 8 | 5s | 1.818798 | -.05037574 |
| 9 | 4s | 31.174206 | .00061796 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381708 | < R2 > | 2.203211 | < 1/R > | .988578 | < 1/R**2 > | 5.723418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929837 | .47307443 |
| 2 | 3p | 8.056846 | .47297041 |
| 3 | 4p | 6.732910 | .14365191 |
| 4 | 5p | 5.296430 | .01115423 |
| 5 | 2p | 20.932617 | .00547043 |
| 6 | 5p | 15.947872 | -.00567538 |
| 7 | 3p | 44.053514 | .00005588 |
| 8 | 3p | 2.026824 | .00182529 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375612 | < R2 > | .174721 | < 1/R > | 3.448701 | < 1/R**2 > | 16.516672 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343224 | .38923497 |
| 2 | 2s | 7.634495 | -.82053849 |
| 3 | 3s | 6.808218 | -.29465772 |
| 4 | 4s | 30.776290 | .00337388 |
| 5 | 3s | 14.438935 | .01383778 |
| 6 | 2s | 4.007736 | -.04579068 |
| 7 | 5s | 2.987423 | -.00536780 |
| 8 | 5s | 41.226394 | -.00056196 |
| 9 | 2s | 101.684551 | -.00000300 |
| 10 | 4s | 2.701064 | .00610937 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412089 | < R2 > | .201010 | < 1/R > | 3.556850 | < 1/R**2 > | 52.020374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580390 | 1.00987109 |
| 2 | 2s | 22.431029 | -.01729981 |
| 3 | 3s | 14.907896 | .01755787 |
| 4 | 4s | 51.030125 | -.00050578 |
| 5 | 4s | 12.558178 | .00288640 |
| 6 | 5s | 60.230648 | .00012310 |
| 7 | 5s | 15.991732 | -.00410157 |
| 8 | 2s | 34.414600 | -.00228269 |
| 9 | 2s | 84.919530 | .00004488 |
| 10 | 5s | 3.965867 | -.00003472 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553529 | < 1/R**2 > | 621.141721 |
Total Energy= -526.31899669 a.u.
Kinetic Energy= 526.31888095 a.u.
Potential Energy= -1052.63787763 a.u.
Virial Ratio = -2.00000022