(1s 2 2s 2 2p 3 4p 1 ) 3 P O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | .718053 | .13753098 |
| 2 | 3p | .542963 | -.67704292 |
| 3 | 4p | .300843 | 1.35730096 |
| 4 | 5p | .528411 | -.32083756 |
| 5 | 2p | 4.038879 | .00502744 |
| 6 | 5p | 2.482034 | .00765953 |
| 7 | 3p | 12.461731 | -.00010953 |
| ORB.ENERGY,a.u. | -.045157 | ||
| NORM | 1.000004 | < R > | 16.486129 | < R2 > | 306.413278 | < 1/R > | .076197 | < 1/R**2 > | .009168 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.008099 | .68991202 |
| 2 | 2p | 3.396359 | .33535727 |
| 3 | 2p | 7.326033 | .02123605 |
| 4 | 4p | 1.865981 | .03256466 |
| 5 | 4p | 6.989647 | .01410987 |
| 6 | 3p | .515823 | -.00355338 |
| 7 | 3p | 4.615033 | -.03279405 |
| 8 | 5p | .336404 | .00599781 |
| 9 | 3p | 22.875749 | .00003923 |
| ORB.ENERGY,a.u. | -1.145700 | ||
| NORM | 1.000000 | < R > | 1.077608 | < R2 > | 1.466007 | < 1/R > | 1.225973 | < 1/R**2 > | 2.140788 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.733370 | .29217507 |
| 2 | 2s | 2.835695 | -.83388932 |
| 3 | 3s | 2.146890 | -.30335765 |
| 4 | 3s | 9.189868 | .01511658 |
| 5 | 4s | 9.541067 | .00774418 |
| 6 | 5s | 2.194927 | .03453604 |
| 7 | 5s | 37.466563 | -.00005707 |
| 8 | 4s | 1.535295 | -.01721409 |
| 9 | 3s | 1.158391 | .00775512 |
| 10 | 2s | 58.128714 | .00000457 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089368 | < R2 > | 1.421493 | < 1/R > | 1.319727 | < 1/R**2 > | 7.125850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128386 | .84549832 |
| 2 | 1s | 10.485064 | .16172687 |
| 3 | 2s | 6.672130 | -.00600899 |
| 4 | 3s | 4.704299 | .00356603 |
| 5 | 4s | 15.331426 | .00444241 |
| 6 | 5s | 2.453382 | .00009786 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198487 | < R2 > | .053073 | < 1/R > | 7.644315 | < 1/R**2 > | 118.430653 |
Total Energy= -74.41798947 a.u.
Kinetic Energy= 74.40668384 a.u.
Potential Energy= -148.82467331 a.u.
Virial Ratio = -2.00015194