(1s 2 2s 2 2p 6 3s 2 3p 5 5d 1 ) 1 F Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | .317194 | .85100443 |
| 2 | 4d | .184658 | -6.45350872 |
| 3 | 5d | .198938 | 6.47019479 |
| 4 | 3d | .864214 | .04728623 |
| 5 | 3d | 2.245259 | .08223339 |
| 6 | 4d | 2.833214 | -.04574936 |
| 7 | 5d | 6.110190 | -.00262724 |
| 8 | 3d | 10.368825 | .00026035 |
| ORB.ENERGY,a.u. | -.020954 | ||
| NORM | 1.000066 | < R > | 32.465512 | < R2 > | 1207.220679 | < 1/R > | .046663 | < 1/R**2 > | .006422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.165102 | .29469541 |
| 2 | 2p | 1.647748 | -.93455888 |
| 3 | 3p | 3.199073 | -.17996547 |
| 4 | 2p | 7.957873 | .18285873 |
| 5 | 3p | 9.803350 | -.05832748 |
| 6 | 4p | 28.072605 | -.00080694 |
| 7 | 4p | 1.184920 | -.02772021 |
| 8 | 5p | 60.081852 | -.00003781 |
| 9 | 3p | .915665 | .02161258 |
| 10 | 3p | 48.519381 | -.00005132 |
| 11 | 5p | .780222 | -.00098008 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559043 | < R2 > | 2.863275 | < 1/R > | .863145 | < 1/R**2 > | 1.651848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286614 | .81271963 |
| 2 | 1s | 10.257548 | .17094166 |
| 3 | 2s | 5.407826 | -.67768157 |
| 4 | 3s | 2.827929 | .45078658 |
| 5 | 4s | 5.543923 | .05907031 |
| 6 | 2s | 10.383762 | -.15251947 |
| 7 | 2s | 16.738293 | -.00918384 |
| 8 | 5s | 1.818411 | -.05020816 |
| 9 | 4s | 31.168420 | .00061869 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381683 | < R2 > | 2.203181 | < 1/R > | .988617 | < 1/R**2 > | 5.723995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929697 | .47309663 |
| 2 | 3p | 8.056843 | .47295074 |
| 3 | 4p | 6.733050 | .14364465 |
| 4 | 5p | 5.298052 | .01114905 |
| 5 | 2p | 20.933280 | .00547035 |
| 6 | 5p | 15.948751 | -.00567599 |
| 7 | 3p | 44.042383 | .00005586 |
| 8 | 3p | 2.026084 | .00182618 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375606 | < R2 > | .174715 | < 1/R > | 3.448738 | < 1/R**2 > | 16.516975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343352 | .38923395 |
| 2 | 2s | 7.634504 | -.82053618 |
| 3 | 3s | 6.808335 | -.29465543 |
| 4 | 4s | 30.782200 | .00337483 |
| 5 | 3s | 14.440010 | .01383734 |
| 6 | 2s | 4.008015 | -.04578867 |
| 7 | 5s | 2.985514 | -.00537183 |
| 8 | 5s | 41.230102 | -.00056226 |
| 9 | 2s | 104.537436 | -.00000289 |
| 10 | 4s | 2.699900 | .00611287 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412084 | < R2 > | .201006 | < 1/R > | 3.556886 | < 1/R**2 > | 52.021330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580397 | 1.00987097 |
| 2 | 2s | 22.430729 | -.01729968 |
| 3 | 3s | 14.908081 | .01755762 |
| 4 | 4s | 51.031974 | -.00050578 |
| 5 | 4s | 12.557883 | .00288649 |
| 6 | 5s | 60.231487 | .00012311 |
| 7 | 5s | 15.991805 | -.00410156 |
| 8 | 2s | 34.414954 | -.00228274 |
| 9 | 2s | 84.919514 | .00004487 |
| 10 | 5s | 3.963361 | -.00003465 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553538 | < 1/R**2 > | 621.142218 |
Total Energy= -526.29587144 a.u.
Kinetic Energy= 526.29549406 a.u.
Potential Energy= -1052.59136550 a.u.
Virial Ratio = -2.00000072