(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 S Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | .968060 | .57579734 |
| 2 | 5p | 1.579186 | .69133198 |
| 3 | 4p | 4.259833 | -.29086545 |
| 4 | 2p | 8.162780 | .08430037 |
| 5 | 5p | 3.168500 | -.36253158 |
| 6 | 3p | 11.384760 | -.00834299 |
| 7 | 4p | 35.804973 | -.00008774 |
| 8 | 3p | .760984 | -.00959901 |
| ORB.ENERGY,a.u. | -1.047600 | ||
| NORM | 1.000000 | < R > | 3.540358 | < R2 > | 13.745913 | < 1/R > | .338789 | < 1/R**2 > | .257756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 2.608005 | -1.29838229 |
| 2 | 5p | 2.400632 | -.51848211 |
| 3 | 4p | 7.734324 | .12235330 |
| 4 | 2p | 8.351303 | .28235218 |
| 5 | 4p | 2.158867 | .67363119 |
| 6 | 5p | 11.927229 | .00595140 |
| 7 | 3p | 18.755531 | -.00256563 |
| 8 | 3p | 1.194880 | .09508536 |
| 9 | 4p | 79.993335 | .00000550 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.313758 | < R2 > | 1.979328 | < 1/R > | 1.016469 | < 1/R**2 > | 2.249735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.202189 | -.39847654 |
| 2 | 1s | 13.000420 | .20733521 |
| 3 | 1s | 66.675174 | .00007892 |
| 4 | 2s | 6.212836 | -.22924087 |
| 5 | 3s | 2.950161 | 1.06207970 |
| 6 | 4s | 5.147093 | .15392861 |
| 7 | 3s | 39.341907 | -.00051239 |
| 8 | 5s | 2.646430 | .03438392 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.271651 | < R2 > | 1.842789 | < 1/R > | 1.077204 | < 1/R**2 > | 6.844269 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.474681 | -.00699940 |
| 2 | 2p | 3.883722 | .06611745 |
| 3 | 2p | 15.931475 | .15447066 |
| 4 | 3p | 12.477408 | .42420623 |
| 5 | 4p | 9.785906 | .39432878 |
| 6 | 5p | 7.870317 | .12654425 |
| 7 | 5p | 17.630208 | -.00551005 |
| 8 | 3p | 43.719906 | .00006425 |
| 9 | 3p | 2.072607 | .00182388 |
| 10 | 4p | 1.183624 | .00026192 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374445 | < R2 > | .173416 | < 1/R > | 3.456342 | < 1/R**2 > | 16.578738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441138 | .38636385 |
| 2 | 2s | 7.559200 | -.82710348 |
| 3 | 3s | 6.829690 | -.28881107 |
| 4 | 4s | 30.516116 | .00183330 |
| 5 | 3s | 17.088951 | .00829891 |
| 6 | 2s | 2.734390 | -.05814715 |
| 7 | 4s | 3.686545 | .02929891 |
| 8 | 5s | 2.698123 | .00125512 |
| 9 | 5s | 79.377935 | .00001265 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410817 | < R2 > | .199593 | < 1/R > | 3.567086 | < 1/R**2 > | 52.291807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572586 | 1.01064716 |
| 2 | 2s | 23.225365 | -.01614634 |
| 3 | 3s | 14.055391 | .01751641 |
| 4 | 4s | 35.500726 | -.00051526 |
| 5 | 4s | 11.867837 | .00190080 |
| 6 | 5s | 44.515043 | .00039309 |
| 7 | 5s | 15.697823 | -.00472059 |
| 8 | 2s | 30.285636 | -.00324954 |
| 9 | 2s | 68.145898 | .00008522 |
| 10 | 5s | 3.590223 | -.00001195 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086086 | < R2 > | .009955 | < 1/R > | 17.555572 | < 1/R**2 > | 621.253641 |
Total Energy= -522.54263842 a.u.
Kinetic Energy= 522.55183446 a.u.
Potential Energy= -1045.09447288 a.u.
Virial Ratio = -1.99998240