(1s 2 2s 2 2p 6 3s 2 3p 5 4d 1 ) 1 F Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 1.058336 | .44693746 |
| 2 | 4d | .252307 | -1.53223936 |
| 3 | 3d | .322760 | 1.02700782 |
| 4 | 4d | 1.734388 | -.16786280 |
| 5 | 5d | 1.383013 | -.21257577 |
| 6 | 3d | 4.028718 | .00808646 |
| 7 | 4d | 11.197236 | .00066154 |
| 8 | 5d | 26.940566 | .00004948 |
| 9 | 3d | 26.149362 | .00001982 |
| ORB.ENERGY,a.u. | -.032902 | ||
| NORM | .999997 | < R > | 19.438551 | < R2 > | 439.220926 | < 1/R > | .073975 | < 1/R**2 > | .011882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.348194 | .31133687 |
| 2 | 2p | 1.677413 | -.92965271 |
| 3 | 3p | 3.131326 | -.16301883 |
| 4 | 2p | 7.797331 | .17705065 |
| 5 | 3p | 9.371429 | -.07386923 |
| 6 | 4p | 21.663627 | -.00107629 |
| 7 | 4p | 1.526654 | -.02497645 |
| 8 | 5p | 44.806591 | -.00004363 |
| 9 | 3p | 25.668608 | -.00053748 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559472 | < R2 > | 2.865235 | < 1/R > | .862972 | < 1/R**2 > | 1.651277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286572 | .81264221 |
| 2 | 1s | 10.257684 | .17092865 |
| 3 | 2s | 5.407852 | -.67761569 |
| 4 | 3s | 2.827882 | .45072691 |
| 5 | 4s | 5.543602 | .05909735 |
| 6 | 2s | 10.383876 | -.15250112 |
| 7 | 2s | 16.737759 | -.00918311 |
| 8 | 5s | 1.818906 | -.05003581 |
| 9 | 4s | 31.167052 | .00061898 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381814 | < R2 > | 2.203694 | < 1/R > | .988545 | < 1/R**2 > | 5.723213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929678 | .47310052 |
| 2 | 3p | 8.056846 | .47294741 |
| 3 | 4p | 6.733071 | .14364347 |
| 4 | 5p | 5.298258 | .01114838 |
| 5 | 2p | 20.933392 | .00547030 |
| 6 | 5p | 15.948843 | -.00567607 |
| 7 | 3p | 44.041016 | .00005586 |
| 8 | 3p | 2.025457 | .00182696 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375605 | < R2 > | .174714 | < 1/R > | 3.448746 | < 1/R**2 > | 16.517043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343377 | .38923378 |
| 2 | 2s | 7.634509 | -.82053565 |
| 3 | 3s | 6.808352 | -.29465518 |
| 4 | 4s | 30.783837 | .00337502 |
| 5 | 3s | 14.440315 | .01383723 |
| 6 | 2s | 4.008078 | -.04578818 |
| 7 | 5s | 2.985237 | -.00537261 |
| 8 | 5s | 41.231870 | -.00056236 |
| 9 | 2s | 105.180490 | -.00000287 |
| 10 | 4s | 2.699756 | .00611328 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412084 | < R2 > | .201005 | < 1/R > | 3.556893 | < 1/R**2 > | 52.021519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580400 | 1.00987080 |
| 2 | 2s | 22.430687 | -.01729950 |
| 3 | 3s | 14.908123 | .01755756 |
| 4 | 4s | 51.032315 | -.00050579 |
| 5 | 4s | 12.557823 | .00288651 |
| 6 | 5s | 60.231246 | .00012312 |
| 7 | 5s | 15.991820 | -.00410156 |
| 8 | 2s | 34.415040 | -.00228274 |
| 9 | 2s | 84.923207 | .00004487 |
| 10 | 5s | 3.962462 | -.00003463 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553540 | < 1/R**2 > | 621.142333 |
Total Energy= -526.30803077 a.u.
Kinetic Energy= 526.30743704 a.u.
Potential Energy= -1052.61546781 a.u.
Virial Ratio = -2.00000113