(1s 2 2s 2 2p 1 3p 1 ) 3 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 4.906856 | .67443462 |
| 2 | 3p | 3.502144 | -1.34685498 |
| 3 | 2p | 10.135329 | .06343746 |
| 4 | 4p | 12.521890 | .01359228 |
| 5 | 5p | 3.150163 | .01865421 |
| 6 | 4p | 2.657017 | -.01120272 |
| 7 | 5p | 39.181784 | -.00009620 |
| ORB.ENERGY,a.u. | -6.262600 | ||
| NORM | 1.000000 | < R > | 1.113796 | < R2 > | 1.420398 | < 1/R > | 1.224452 | < 1/R**2 > | 3.092505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.183878 | 1.07848791 |
| 2 | 3p | 7.397569 | -.09577745 |
| 3 | 2p | 15.146344 | .01399128 |
| 4 | 5p | 18.490726 | .00210223 |
| 5 | 4p | 30.212690 | -.00023586 |
| 6 | 5p | 6.396311 | .00814590 |
| 7 | 5p | 91.513099 | -.00000159 |
| 8 | 4p | 5.812410 | -.00079985 |
| ORB.ENERGY,a.u. | -16.629000 | ||
| NORM | 1.000000 | < R > | .395946 | < R2 > | .189863 | < 1/R > | 3.193258 | < 1/R**2 > | 13.799310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.953390 | .37117214 |
| 2 | 2s | 5.649944 | -.80785384 |
| 3 | 3s | 8.183549 | -.28137754 |
| 4 | 4s | 27.978517 | .00133759 |
| 5 | 5s | 15.958410 | -.01040449 |
| 6 | 5s | 6.539162 | .01416685 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458435 | < R2 > | .246110 | < 1/R > | 3.198797 | < 1/R**2 > | 41.418124 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.160770 | .93141468 |
| 2 | 1s | 21.950190 | .06821694 |
| 3 | 2s | 13.140922 | .01917296 |
| 4 | 3s | 16.309705 | -.01648501 |
| 5 | 4s | 77.261317 | -.00005641 |
| 6 | 5s | 34.268729 | .00089098 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103013 | < R2 > | .014217 | < 1/R > | 14.643896 | < 1/R**2 > | 431.806076 |
Total Energy= -282.28275219 a.u.
Kinetic Energy= 282.35241558 a.u.
Potential Energy= -564.63516777 a.u.
Virial Ratio = -1.99975328