(1s 2 2s 2 2p 6 3s 2 3p 5 5d 1 ) 1 D Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | .297688 | .99144486 |
| 2 | 4d | .182986 | -6.88681299 |
| 3 | 5d | .196781 | 6.77836068 |
| 4 | 3d | .891571 | .04043676 |
| 5 | 3d | 2.240605 | .08270396 |
| 6 | 4d | 2.840105 | -.04514604 |
| 7 | 5d | 6.133153 | -.00271590 |
| 8 | 3d | 10.454855 | .00024838 |
| ORB.ENERGY,a.u. | -.020600 | ||
| NORM | 1.000066 | < R > | 33.031401 | < R2 > | 1250.153367 | < 1/R > | .045899 | < 1/R**2 > | .006232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.179697 | .29742146 |
| 2 | 2p | 1.654422 | -.93518150 |
| 3 | 3p | 3.201878 | -.17533595 |
| 4 | 2p | 7.958020 | .18140595 |
| 5 | 3p | 9.769247 | -.05917853 |
| 6 | 4p | 27.504765 | -.00083834 |
| 7 | 4p | .925766 | -.04113891 |
| 8 | 5p | 57.301286 | -.00003621 |
| 9 | 5p | 1.027548 | .03250393 |
| 10 | 3p | 44.179440 | -.00006982 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559020 | < R2 > | 2.863200 | < 1/R > | .863162 | < 1/R**2 > | 1.651925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286596 | .81273365 |
| 2 | 1s | 10.257507 | .17094334 |
| 3 | 2s | 5.407812 | -.67768577 |
| 4 | 3s | 2.827923 | .45078492 |
| 5 | 4s | 5.544019 | .05907236 |
| 6 | 2s | 10.383733 | -.15251917 |
| 7 | 2s | 16.737477 | -.00918588 |
| 8 | 5s | 1.818439 | -.05023009 |
| 9 | 4s | 31.167999 | .00061886 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381677 | < R2 > | 2.203154 | < 1/R > | .988620 | < 1/R**2 > | 5.724023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929716 | .47309408 |
| 2 | 3p | 8.056846 | .47295324 |
| 3 | 4p | 6.733028 | .14364543 |
| 4 | 5p | 5.297814 | .01114981 |
| 5 | 2p | 20.933212 | .00547034 |
| 6 | 5p | 15.948657 | -.00567593 |
| 7 | 3p | 44.043905 | .00005586 |
| 8 | 3p | 2.025572 | .00182683 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375607 | < R2 > | .174716 | < 1/R > | 3.448735 | < 1/R**2 > | 16.516949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343347 | .38923403 |
| 2 | 2s | 7.634505 | -.82053620 |
| 3 | 3s | 6.808329 | -.29465566 |
| 4 | 4s | 30.781941 | .00337482 |
| 5 | 3s | 14.440002 | .01383734 |
| 6 | 2s | 4.008023 | -.04578860 |
| 7 | 5s | 2.985619 | -.00537170 |
| 8 | 5s | 41.229504 | -.00056225 |
| 9 | 2s | 104.482393 | -.00000289 |
| 10 | 4s | 2.699961 | .00611265 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412085 | < R2 > | .201006 | < 1/R > | 3.556885 | < 1/R**2 > | 52.021304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580397 | 1.00987095 |
| 2 | 2s | 22.430738 | -.01729967 |
| 3 | 3s | 14.908072 | .01755763 |
| 4 | 4s | 51.032042 | -.00050578 |
| 5 | 4s | 12.557900 | .00288649 |
| 6 | 5s | 60.231383 | .00012311 |
| 7 | 5s | 15.991799 | -.00410156 |
| 8 | 2s | 34.414934 | -.00228273 |
| 9 | 2s | 84.922074 | .00004487 |
| 10 | 5s | 3.963299 | -.00003465 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553537 | < 1/R**2 > | 621.142205 |
Total Energy= -526.29585304 a.u.
Kinetic Energy= 526.29513712 a.u.
Potential Energy= -1052.59099016 a.u.
Virial Ratio = -2.00000136