(1s 2 2s 2 2p 6 3s 2 3p 5 5d 1 ) 3 F Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | .361086 | .61212660 |
| 2 | 4d | .188236 | -5.76357571 |
| 3 | 5d | .203938 | 5.97545116 |
| 4 | 3d | .877909 | .07342202 |
| 5 | 3d | 2.026676 | .13346746 |
| 6 | 4d | 2.482637 | -.06758308 |
| 7 | 5d | 4.464869 | -.00425012 |
| 8 | 3d | 7.774790 | .00164115 |
| 9 | 3d | .063722 | .00214249 |
| ORB.ENERGY,a.u. | -.021729 | ||
| NORM | .999987 | < R > | 30.899985 | < R2 > | 1103.233635 | < 1/R > | .053502 | < 1/R**2 > | .010627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.237174 | .29855429 |
| 2 | 2p | 1.648317 | -.94030680 |
| 3 | 3p | 3.172277 | -.17526896 |
| 4 | 2p | 7.894427 | .18155532 |
| 5 | 3p | 9.638118 | -.06389731 |
| 6 | 4p | 25.892160 | -.00092096 |
| 7 | 4p | 1.328671 | -.04147111 |
| 8 | 5p | 52.107023 | -.00003084 |
| 9 | 3p | 1.138550 | .03784880 |
| 10 | 3p | 35.668120 | -.00014672 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559785 | < R2 > | 2.866455 | < 1/R > | .862798 | < 1/R**2 > | 1.650605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286551 | .81254952 |
| 2 | 1s | 10.257666 | .17091784 |
| 3 | 2s | 5.407886 | -.67754893 |
| 4 | 3s | 2.827849 | .45067038 |
| 5 | 4s | 5.543418 | .05911216 |
| 6 | 2s | 10.384014 | -.15248216 |
| 7 | 2s | 16.735858 | -.00918470 |
| 8 | 5s | 1.817457 | -.04990838 |
| 9 | 4s | 31.162521 | .00061979 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381917 | < R2 > | 2.204053 | < 1/R > | .988473 | < 1/R**2 > | 5.722364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929661 | .47310480 |
| 2 | 3p | 8.056875 | .47294357 |
| 3 | 4p | 6.733136 | .14364088 |
| 4 | 5p | 5.299406 | .01114487 |
| 5 | 2p | 20.933476 | .00547042 |
| 6 | 5p | 15.949226 | -.00567652 |
| 7 | 3p | 44.043487 | .00005583 |
| 8 | 3p | 2.027703 | .00182422 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375602 | < R2 > | .174710 | < 1/R > | 3.448763 | < 1/R**2 > | 16.517178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343404 | .38923332 |
| 2 | 2s | 7.634509 | -.82053501 |
| 3 | 3s | 6.808370 | -.29465473 |
| 4 | 4s | 30.786227 | .00337497 |
| 5 | 3s | 14.440431 | .01383712 |
| 6 | 2s | 4.008106 | -.04578787 |
| 7 | 5s | 2.985245 | -.00537295 |
| 8 | 5s | 41.237533 | -.00056229 |
| 9 | 2s | 105.727989 | -.00000284 |
| 10 | 4s | 2.699764 | .00611308 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412083 | < R2 > | .201004 | < 1/R > | 3.556898 | < 1/R**2 > | 52.021668 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580400 | 1.00987094 |
| 2 | 2s | 22.430558 | -.01729966 |
| 3 | 3s | 14.908191 | .01755747 |
| 4 | 4s | 51.032714 | -.00050579 |
| 5 | 4s | 12.557694 | .00288655 |
| 6 | 5s | 60.231326 | .00012312 |
| 7 | 5s | 15.991845 | -.00410155 |
| 8 | 2s | 34.415125 | -.00228275 |
| 9 | 2s | 84.923985 | .00004487 |
| 10 | 5s | 3.962450 | -.00003461 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553542 | < 1/R**2 > | 621.142485 |
Total Energy= -526.29572812 a.u.
Kinetic Energy= 526.29626660 a.u.
Potential Energy= -1052.59199472 a.u.
Virial Ratio = -1.99999898