(1s 2 2s 2 2p 3 3d 1 ) 5 D O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 3d- electron | |
| 1 | 3d | .346499 | .93871885 |
| 2 | 3d | 2.270661 | .00647095 |
| 3 | 5d | .372124 | .06915315 |
| 4 | 4d | 1.483819 | .00709673 |
| 5 | 5d | 11.653507 | .00003310 |
| ORB.ENERGY,a.u. | -.055940 | ||
| NORM | 1.000000 | < R > | 10.360012 | < R2 > | 123.039168 | < 1/R > | .113357 | < 1/R**2 > | .015679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.019175 | .71964162 |
| 2 | 2p | 3.527970 | .28881430 |
| 3 | 2p | 7.597476 | .02034824 |
| 4 | 3p | 1.053675 | -.00245140 |
| 5 | 4p | 1.761934 | .03076652 |
| 6 | 5p | 9.700930 | .00382216 |
| 7 | 5p | .827676 | .00043713 |
| ORB.ENERGY,a.u. | -1.095700 | ||
| NORM | 1.000000 | < R > | 1.078113 | < R2 > | 1.461127 | < 1/R > | 1.225543 | < 1/R**2 > | 2.139749 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.733588 | .29218915 |
| 2 | 2s | 2.837540 | -.83238189 |
| 3 | 3s | 2.161237 | -.30052452 |
| 4 | 3s | 9.193948 | .01506440 |
| 5 | 4s | 9.546429 | .00775239 |
| 6 | 5s | 2.179275 | .03194231 |
| 7 | 5s | 37.430806 | -.00006121 |
| 8 | 4s | 1.583386 | -.01411888 |
| 9 | 3s | 1.037118 | .00268202 |
| 10 | 3s | 103.607050 | .00000244 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089329 | < R2 > | 1.421428 | < 1/R > | 1.319801 | < 1/R**2 > | 7.126704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128385 | .84550086 |
| 2 | 1s | 10.485033 | .16172766 |
| 3 | 2s | 6.671883 | -.00601263 |
| 4 | 3s | 4.703964 | .00356338 |
| 5 | 4s | 15.331358 | .00444301 |
| 6 | 5s | 2.449170 | .00009817 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198486 | < R2 > | .053072 | < 1/R > | 7.644334 | < 1/R**2 > | 118.431111 |
Total Energy= -74.42923807 a.u.
Kinetic Energy= 74.42854718 a.u.
Potential Energy= -148.85778525 a.u.
Virial Ratio = -2.00000928