(1s 2 2s 2 2p 6 3s 2 3p 4 4d 1 ) 2 D Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | .673822 | 1.13178424 |
| 2 | 4d | .511841 | -1.50536646 |
| 3 | 3d | 2.388180 | .17810237 |
| 4 | 4d | 2.588458 | -.07195457 |
| 5 | 5d | 4.006518 | -.02599947 |
| 6 | 5d | 1.100292 | -.11921248 |
| 7 | 3d | 7.691151 | .00434710 |
| ORB.ENERGY,a.u. | -.319820 | ||
| NORM | 1.000000 | < R > | 9.497333 | < R2 > | 105.433281 | < 1/R > | .154122 | < 1/R**2 > | .050482 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.856296 | 1.00257362 |
| 2 | 2p | 2.102191 | -1.21657677 |
| 3 | 3p | 4.628743 | -.46002474 |
| 4 | 2p | 10.578871 | .07864491 |
| 5 | 3p | 19.346511 | -.00162140 |
| 6 | 4p | 2.006724 | -.04860632 |
| 7 | 5p | 2.296902 | -.06245448 |
| 8 | 5p | .833366 | -.00093748 |
| 9 | 4p | 77.661279 | .00000513 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.474769 | < R2 > | 2.534766 | < 1/R > | .908863 | < 1/R**2 > | 1.820570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437967 | .76698367 |
| 2 | 1s | 9.984517 | .18029583 |
| 3 | 2s | 5.339752 | -.73077613 |
| 4 | 3s | 2.825279 | .52661036 |
| 5 | 4s | 5.834647 | .06930361 |
| 6 | 2s | 10.544692 | -.16879402 |
| 7 | 2s | 18.426122 | -.00536839 |
| 8 | 5s | 1.917203 | -.03077018 |
| 9 | 4s | 30.398437 | .00057393 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.344093 | < R2 > | 2.074343 | < 1/R > | 1.016241 | < 1/R**2 > | 6.059971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.898186 | .47256237 |
| 2 | 3p | 8.064360 | .47429390 |
| 3 | 4p | 6.704467 | .14355146 |
| 4 | 5p | 5.285345 | .00965398 |
| 5 | 2p | 20.009842 | .00691699 |
| 6 | 5p | 15.403996 | -.00705207 |
| 7 | 3p | 48.622863 | .00003735 |
| 8 | 3p | 2.209093 | .00153124 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375328 | < R2 > | .174396 | < 1/R > | 3.450537 | < 1/R**2 > | 16.531567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489597 | .38362404 |
| 2 | 2s | 7.544840 | -.80325565 |
| 3 | 3s | 6.939127 | -.26219191 |
| 4 | 4s | 30.429787 | .00159590 |
| 5 | 3s | 17.942246 | .00716110 |
| 6 | 2s | 4.311274 | -.08028192 |
| 7 | 5s | 3.284866 | -.01148801 |
| 8 | 4s | 2.972213 | .01404361 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411770 | < R2 > | .200654 | < 1/R > | 3.559420 | < 1/R**2 > | 52.088586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580830 | 1.00985991 |
| 2 | 2s | 22.411357 | -.01728733 |
| 3 | 3s | 14.920387 | .01754105 |
| 4 | 4s | 51.132692 | -.00050665 |
| 5 | 4s | 12.552639 | .00288790 |
| 6 | 5s | 60.165119 | .00012282 |
| 7 | 5s | 16.004683 | -.00409521 |
| 8 | 2s | 34.437356 | -.00228503 |
| 9 | 2s | 85.514982 | .00004381 |
| 10 | 5s | 3.803105 | -.00002725 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554060 | < 1/R**2 > | 621.170775 |
Total Energy= -525.45696797 a.u.
Kinetic Energy= 525.43810837 a.u.
Potential Energy= -1050.89507634 a.u.
Virial Ratio = -2.00003589