(1s 2 2s 2 2p 3 5d 1 ) 5 D O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | .256322 | 1.53720559 |
| 2 | 4d | .202657 | -5.29555117 |
| 3 | 5d | .198056 | 4.63001961 |
| 4 | 3d | 1.727058 | .00634402 |
| 5 | 4d | 4.737473 | .00045067 |
| 6 | 4d | .153169 | -.11209314 |
| 7 | 5d | 1.214168 | .00512103 |
| 8 | 5d | 16.933724 | .00002057 |
| ORB.ENERGY,a.u. | -.020129 | ||
| NORM | 1.000010 | < R > | 34.217574 | < R2 > | 1329.625842 | < 1/R > | .040743 | < 1/R**2 > | .003456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.019245 | .72061252 |
| 2 | 2p | 3.529709 | .28826216 |
| 3 | 2p | 7.594843 | .02036089 |
| 4 | 3p | 1.218618 | -.00397955 |
| 5 | 4p | 1.758895 | .03195193 |
| 6 | 5p | 9.678439 | .00385100 |
| ORB.ENERGY,a.u. | -1.209400 | ||
| NORM | 1.000000 | < R > | 1.077936 | < R2 > | 1.460447 | < 1/R > | 1.225643 | < 1/R**2 > | 2.140000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.734747 | .29210702 |
| 2 | 2s | 2.837397 | -.83234047 |
| 3 | 3s | 2.162126 | -.30027159 |
| 4 | 3s | 9.201907 | .01511788 |
| 5 | 4s | 9.541107 | .00775188 |
| 6 | 5s | 2.178179 | .03160368 |
| 7 | 5s | 37.111111 | -.00005388 |
| 8 | 4s | 1.586259 | -.01367354 |
| 9 | 3s | 1.008968 | .00236535 |
| 10 | 2s | 53.157514 | .00000576 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089300 | < R2 > | 1.421310 | < 1/R > | 1.319815 | < 1/R**2 > | 7.126786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128397 | .84548355 |
| 2 | 1s | 10.484873 | .16173947 |
| 3 | 2s | 6.672688 | -.00600634 |
| 4 | 3s | 4.704030 | .00356298 |
| 5 | 4s | 15.331190 | .00444385 |
| 6 | 5s | 2.451065 | .00009820 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198487 | < R2 > | .053072 | < 1/R > | 7.644329 | < 1/R**2 > | 118.430987 |
Total Energy= -74.39294629 a.u.
Kinetic Energy= 74.39272937 a.u.
Potential Energy= -148.78567567 a.u.
Virial Ratio = -2.00000292