(1s 2 2s 2 2p 5 5d 1 ) 1 F Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 5d- electron | |
| 1 | 3d | 2.449724 | 1.22675277 |
| 2 | 4d | 1.893149 | -4.42879562 |
| 3 | 5d | 1.816480 | 3.93399760 |
| 4 | 3d | 5.514656 | .06719640 |
| 5 | 5d | 8.276135 | -.01584340 |
| 6 | 4d | 15.557687 | .00173918 |
| 7 | 5d | 1.549969 | -.03568033 |
| 8 | 3d | 21.804364 | .00028390 |
| ORB.ENERGY,a.u. | -1.672500 | ||
| NORM | 1.000002 | < R > | 3.696471 | < R2 > | 15.533407 | < 1/R > | .380763 | < 1/R**2 > | .310630 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.387026 | 1.17293334 |
| 2 | 3p | 7.528605 | -.23522508 |
| 3 | 2p | 13.918810 | .06229490 |
| 4 | 5p | 41.434847 | -.00014572 |
| 5 | 5p | 4.926607 | .00022695 |
| 6 | 4p | 17.009548 | .00824045 |
| ORB.ENERGY,a.u. | -17.171000 | ||
| NORM | 1.000000 | < R > | .358924 | < R2 > | .158006 | < 1/R > | 3.575983 | < 1/R**2 > | 17.600936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.356270 | .39952865 |
| 2 | 2s | 7.673049 | -.84572482 |
| 3 | 3s | 7.017014 | -.30589544 |
| 4 | 4s | 19.365340 | .00452465 |
| 5 | 3s | 21.558960 | .00691670 |
| 6 | 5s | 37.954840 | .00045384 |
| 7 | 5s | 5.773389 | -.00512934 |
| 8 | 4s | 4.445946 | .00386693 |
| 9 | 3s | 3.040641 | -.00078460 |
| 10 | 2s | 76.608489 | .00001557 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400735 | < R2 > | .189140 | < 1/R > | 3.657105 | < 1/R**2 > | 54.733945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052656 |
| 2 | 1s | 25.173117 | .06483013 |
| 3 | 2s | 10.851815 | .02186032 |
| 4 | 3s | 13.389115 | -.02197398 |
| 5 | 4s | 16.616734 | .01065865 |
| 6 | 5s | 42.854029 | .00068698 |
| 7 | 4s | 99.297243 | -.00003349 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572633 | < 1/R**2 > | 622.195810 |
Total Energy= -492.15680599 a.u.
Kinetic Energy= 492.15189545 a.u.
Potential Energy= -984.30870144 a.u.
Virial Ratio = -2.00000998