(1s 2 2s 2 2p 1 3d 1 ) 1 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 4.406899 | 1.11801354 |
| 2 | 3d | 8.965546 | .02889075 |
| 3 | 4d | 5.021361 | -.12254089 |
| 4 | 5d | 27.058295 | -.00029345 |
| 5 | 5d | 4.594660 | -.02181685 |
| ORB.ENERGY,a.u. | -9.780400 | ||
| NORM | 1.000000 | < R > | .763480 | < R2 > | .670388 | < 1/R > | 1.541028 | < 1/R**2 > | 2.882107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.581103 | 1.08673013 |
| 2 | 3p | 9.139386 | -.10126885 |
| 3 | 2p | 18.400708 | .01198164 |
| 4 | 5p | 23.088804 | .00245689 |
| 5 | 5p | 7.172295 | .00422544 |
| ORB.ENERGY,a.u. | -26.371000 | ||
| NORM | 1.000000 | < R > | .322491 | < R2 > | .125886 | < 1/R > | 3.917480 | < 1/R**2 > | 20.741231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.407312 | .38786671 |
| 2 | 2s | 6.992840 | -.81465434 |
| 3 | 3s | 10.078763 | -.28566270 |
| 4 | 4s | 33.565399 | .00104900 |
| 5 | 5s | 19.610325 | -.00868547 |
| 6 | 5s | 7.746909 | .01388430 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372887 | < R2 > | .162704 | < 1/R > | 3.948197 | < 1/R**2 > | 63.008367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.209407 | .93993108 |
| 2 | 1s | 26.409498 | .05664027 |
| 3 | 2s | 15.735096 | .01994483 |
| 4 | 3s | 19.268738 | -.01406396 |
| 5 | 4s | 85.922906 | -.00006431 |
| 6 | 5s | 41.256262 | .00059367 |
| 7 | 4s | 7.944973 | .00004326 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085398 | < R2 > | .009762 | < 1/R > | 17.646213 | < 1/R**2 > | 626.253139 |
Total Energy= -414.88333097 a.u.
Kinetic Energy= 414.99023622 a.u.
Potential Energy= -829.87356719 a.u.
Virial Ratio = -1.99974239