(1s 2 2s 2 2p 6 3s 2 3d 1 ) 2 D Ar 5+
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 | 1.777726 | 1.11491132 |
| 2 | 4d | 1.909734 | -.56480542 |
| 3 | 3d | 3.031764 | .62186182 |
| 4 | 4d | 3.629703 | -.18425594 |
| 5 | 5d | 5.177372 | -.01018574 |
| 6 | 3d | 8.092796 | .02404840 |
| 7 | 4d | 59.588099 | .00000472 |
| ORB.ENERGY,a.u. | -2.370700 | ||
| NORM | 1.000000 | < R > | 1.384130 | < R2 > | 2.246363 | < 1/R > | .873333 | < 1/R**2 > | .962541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 6.541064 | -.30612374 |
| 2 | 3s | 2.984215 | 1.09131239 |
| 3 | 4s | 4.739239 | .20797984 |
| 4 | 5s | 37.823528 | .00038239 |
| 5 | 5s | 2.074621 | .00117181 |
| 6 | 1s | 2.484431 | -.36570526 |
| 7 | 1s | 13.209177 | .18861968 |
| 8 | 1s | 31.396514 | .00080173 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | 1.000000 | < R > | 1.232470 | < R2 > | 1.725725 | < 1/R > | 1.114482 | < 1/R**2 > | 7.345098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.491480 | .43138724 |
| 2 | 3p | 8.326562 | .50018638 |
| 3 | 5p | 5.530138 | .00937845 |
| 4 | 4p | 6.869420 | .16275458 |
| 5 | 2p | 23.538420 | .00191270 |
| 6 | 5p | 34.649014 | -.00026522 |
| 7 | 4p | 40.202735 | -.00014901 |
| 8 | 4p | 3.128272 | .00039726 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .373377 | < R2 > | .172324 | < 1/R > | 3.464545 | < 1/R**2 > | 16.649771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 5s | 37.129753 | -.00036885 |
| 2 | 2s | 47.842894 | -.00005552 |
| 3 | 5s | 3.417173 | -.00412570 |
| 4 | 3s | 1.994905 | .00048223 |
| 5 | 1s | 14.325674 | .39226812 |
| 6 | 2s | 7.621582 | -.83564661 |
| 7 | 3s | 6.772896 | -.30191739 |
| 8 | 4s | 29.155677 | .00329441 |
| 9 | 3s | 14.869543 | .01039836 |
| 10 | 2s | 3.062899 | -.02861413 |
| 11 | 4s | 3.481052 | .01427848 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .409503 | < R2 > | .198183 | < 1/R > | 3.578341 | < 1/R**2 > | 52.594086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586594 | 1.00962117 |
| 2 | 2s | 23.171766 | -.01667290 |
| 3 | 3s | 16.324891 | .01507146 |
| 4 | 4s | 26.254462 | -.00077692 |
| 5 | 4s | 12.462021 | .00421418 |
| 6 | 5s | 44.070712 | .00035490 |
| 7 | 5s | 14.360230 | -.00246122 |
| 8 | 2s | 28.304432 | -.00295184 |
| 9 | 2s | 71.776680 | .00005443 |
| 10 | 5s | 8.205995 | .00007685 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086060 | < R2 > | .009948 | < 1/R > | 17.559094 | < 1/R**2 > | 621.448691 |
Total Energy= -518.06060506 a.u.
Kinetic Energy= 518.05459226 a.u.
Potential Energy= -1036.11519732 a.u.
Virial Ratio = -2.00001161