(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 4 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | .444033 | .52525343 |
| 2 | 5p | 1.215851 | .36493578 |
| 3 | 4p | 4.022578 | -.21479622 |
| 4 | 2p | 7.662819 | .09198926 |
| 5 | 5p | 2.942129 | -.18981807 |
| 6 | 3p | 10.570549 | -.01272367 |
| 7 | 4p | .564343 | -.26142071 |
| 8 | 3p | .677676 | .38344757 |
| 9 | 4p | 34.729557 | -.00010128 |
| 10 | 5p | .208150 | -.00034474 |
| ORB.ENERGY,a.u. | -.485520 | ||
| NORM | 1.000000 | < R > | 4.754531 | < R2 > | 25.453095 | < 1/R > | .267247 | < 1/R**2 > | .197384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.895054 | .94868499 |
| 2 | 2p | 2.071019 | -1.17508580 |
| 3 | 3p | 4.614117 | -.44644179 |
| 4 | 2p | 10.534262 | .07993356 |
| 5 | 3p | 19.038504 | -.00173121 |
| 6 | 4p | 1.955123 | -.11131048 |
| 7 | 5p | 1.063539 | -.00529633 |
| 8 | 5p | 109.733443 | .00000304 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.480822 | < R2 > | 2.561728 | < 1/R > | .906096 | < 1/R**2 > | 1.810330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.436566 | .76830750 |
| 2 | 1s | 9.980317 | .18040789 |
| 3 | 2s | 5.337978 | -.73141827 |
| 4 | 3s | 2.825149 | .52722384 |
| 5 | 4s | 5.852371 | .06885279 |
| 6 | 2s | 10.544370 | -.16892182 |
| 7 | 2s | 18.461253 | -.00535362 |
| 8 | 5s | 1.955418 | -.03185560 |
| 9 | 4s | 30.447720 | .00055870 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.344057 | < R2 > | 2.074320 | < 1/R > | 1.016277 | < 1/R**2 > | 6.060461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.898102 | .47253421 |
| 2 | 3p | 8.064382 | .47430056 |
| 3 | 4p | 6.705002 | .14354894 |
| 4 | 5p | 5.304256 | .00960736 |
| 5 | 2p | 20.011127 | .00691880 |
| 6 | 5p | 15.405108 | -.00705173 |
| 7 | 3p | 48.365655 | .00003767 |
| 8 | 3p | 2.280540 | .00146236 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375321 | < R2 > | .174378 | < 1/R > | 3.450486 | < 1/R**2 > | 16.530878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489368 | .38359668 |
| 2 | 2s | 7.544603 | -.80324369 |
| 3 | 3s | 6.937577 | -.26220691 |
| 4 | 4s | 30.391248 | .00160596 |
| 5 | 3s | 17.933108 | .00715092 |
| 6 | 2s | 4.311065 | -.08028376 |
| 7 | 5s | 3.296876 | -.01143453 |
| 8 | 4s | 2.978806 | .01399201 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411809 | < R2 > | .200696 | < 1/R > | 3.559085 | < 1/R**2 > | 52.079604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580760 | 1.00986114 |
| 2 | 2s | 22.414537 | -.01728870 |
| 3 | 3s | 14.918511 | .01754361 |
| 4 | 4s | 51.111870 | -.00050655 |
| 5 | 4s | 12.555816 | .00288694 |
| 6 | 5s | 60.159655 | .00012268 |
| 7 | 5s | 16.004024 | -.00409523 |
| 8 | 2s | 34.433954 | -.00228455 |
| 9 | 2s | 85.499692 | .00004387 |
| 10 | 5s | 3.846352 | -.00002777 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.553968 | < 1/R**2 > | 621.165632 |
Total Energy= -525.58806877 a.u.
Kinetic Energy= 525.60364269 a.u.
Potential Energy= -1051.19171147 a.u.
Virial Ratio = -1.99997037