(1s 2 2s 2 2p 5 3p 1 ) 3 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 5.834792 | .58843488 |
| 2 | 3p | 3.373299 | -1.18472602 |
| 3 | 4p | 9.266022 | -.07385649 |
| 4 | 2p | 14.135345 | .03198039 |
| 5 | 5p | 23.736454 | .00130054 |
| 6 | 5p | 2.941441 | .02037171 |
| 7 | 4p | 1.705351 | .00217312 |
| 8 | 4p | 2.212885 | -.01342901 |
| ORB.ENERGY,a.u. | -5.624000 | ||
| NORM | 1.000000 | < R > | 1.111122 | < R2 > | 1.415113 | < 1/R > | 1.228160 | < 1/R**2 > | 3.253733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.387563 | 1.16921852 |
| 2 | 3p | 7.559114 | -.23245168 |
| 3 | 2p | 13.882442 | .06240859 |
| 4 | 4p | 16.672909 | .00828787 |
| 5 | 5p | 5.160903 | .00342052 |
| 6 | 5p | 44.580241 | -.00012423 |
| ORB.ENERGY,a.u. | -16.450000 | ||
| NORM | 1.000000 | < R > | .360190 | < R2 > | .159322 | < 1/R > | 3.566811 | < 1/R**2 > | 17.523697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.353624 | .39861678 |
| 2 | 2s | 7.671502 | -.84477756 |
| 3 | 3s | 7.003195 | -.30599544 |
| 4 | 4s | 18.694193 | .00467573 |
| 5 | 3s | 21.003858 | .00772059 |
| 6 | 5s | 38.697505 | .00041362 |
| 7 | 5s | 5.852112 | -.00613510 |
| 8 | 4s | 3.884271 | .00235699 |
| 9 | 3s | 2.786597 | -.00108082 |
| 10 | 2s | 72.653807 | .00001790 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .401839 | < R2 > | .190308 | < 1/R > | 3.647517 | < 1/R**2 > | 54.474822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.188449 | .93088362 |
| 2 | 1s | 25.280511 | .06425073 |
| 3 | 2s | 11.538044 | .02085097 |
| 4 | 3s | 14.335149 | -.02011251 |
| 5 | 4s | 17.396874 | .01018079 |
| 6 | 5s | 43.438943 | .00069985 |
| 7 | 4s | 100.514817 | -.00002900 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085974 | < R2 > | .009923 | < 1/R > | 17.570033 | < 1/R**2 > | 622.050807 |
Total Energy= -496.06466705 a.u.
Kinetic Energy= 496.09738833 a.u.
Potential Energy= -992.16205538 a.u.
Virial Ratio = -1.99993404