(1s 2 2s 2 2p 5 5d 1 ) 3 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 2.543887 | 1.09035581 |
| 2 | 4d | 1.895689 | -4.26269938 |
| 3 | 5d | 1.828378 | 3.89726360 |
| 4 | 3d | 5.582271 | .07819164 |
| 5 | 5d | 8.378772 | -.01720982 |
| 6 | 4d | 16.820983 | .00102275 |
| 7 | 5d | 1.546402 | -.03140695 |
| 8 | 3d | 23.819748 | .00017612 |
| ORB.ENERGY,a.u. | -1.688000 | ||
| NORM | .999999 | < R > | 3.661321 | < R2 > | 15.237700 | < 1/R > | .384721 | < 1/R**2 > | .319247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.397433 | 1.16999144 |
| 2 | 3p | 7.559572 | -.23183277 |
| 3 | 2p | 13.922124 | .06196354 |
| 4 | 4p | 16.960071 | .00827905 |
| 5 | 5p | 41.834904 | -.00014124 |
| 6 | 5p | 5.332007 | .00039913 |
| ORB.ENERGY,a.u. | -17.187000 | ||
| NORM | 1.000000 | < R > | .358961 | < R2 > | .158039 | < 1/R > | 3.575640 | < 1/R**2 > | 17.597881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.353040 | .39966011 |
| 2 | 2s | 7.674516 | -.84576145 |
| 3 | 3s | 7.015376 | -.30592241 |
| 4 | 4s | 19.405671 | .00451297 |
| 5 | 3s | 21.498043 | .00689285 |
| 6 | 5s | 38.239669 | .00045659 |
| 7 | 5s | 5.761500 | -.00378781 |
| 8 | 4s | 4.160173 | .00239184 |
| 9 | 3s | 2.854629 | -.00066481 |
| 10 | 2s | 78.354660 | .00001381 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400737 | < R2 > | .189142 | < 1/R > | 3.657078 | < 1/R**2 > | 54.733073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052709 |
| 2 | 1s | 25.173424 | .06482937 |
| 3 | 2s | 10.852668 | .02185898 |
| 4 | 3s | 13.389663 | -.02197314 |
| 5 | 4s | 16.616719 | .01065864 |
| 6 | 5s | 42.877731 | .00068703 |
| 7 | 4s | 99.231626 | -.00003325 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572654 | < 1/R**2 > | 622.196999 |
Total Energy= -492.15671470 a.u.
Kinetic Energy= 492.16739362 a.u.
Potential Energy= -984.32410832 a.u.
Virial Ratio = -1.99997830