(1s 2 2s 2 2p 5 5p 1 ) 3 D P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 4.166631 | .16257978 |
| 2 | 3p | 1.868758 | -1.45724384 |
| 3 | 4p | 1.480440 | 3.57912634 |
| 4 | 5p | 1.298616 | -2.86328514 |
| 5 | 5p | 1.325137 | -.03098655 |
| 6 | 2p | 8.643734 | .04472954 |
| 7 | 5p | 13.087098 | .00275759 |
| 8 | 4p | 31.621175 | -.00015195 |
| ORB.ENERGY,a.u. | -.845130 | ||
| NORM | 1.000001 | < R > | 5.180921 | < R2 > | 30.179259 | < 1/R > | .276841 | < 1/R**2 > | .290445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.861126 | 1.22298092 |
| 2 | 3p | 5.744573 | -.30187358 |
| 3 | 2p | 11.213450 | .07750105 |
| 4 | 4p | 13.356046 | .01288305 |
| 5 | 5p | 35.900330 | -.00012609 |
| 6 | 5p | 2.969183 | .00201386 |
| 7 | 4p | 1.100379 | .00051337 |
| 8 | 3p | 1.767505 | -.00220865 |
| ORB.ENERGY,a.u. | -9.352600 | ||
| NORM | 1.000000 | < R > | .459239 | < R2 > | .260484 | < 1/R > | 2.817790 | < 1/R**2 > | 11.031095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.143385 | .37207973 |
| 2 | 2s | 6.143008 | -.83410769 |
| 3 | 3s | 5.431651 | -.30273354 |
| 4 | 4s | 18.583926 | .00408166 |
| 5 | 3s | 17.329271 | .00676535 |
| 6 | 5s | 36.642796 | .00041149 |
| 7 | 5s | 4.763656 | -.00315705 |
| 8 | 4s | 3.374805 | .00082945 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501357 | < R2 > | .297125 | < 1/R > | 2.911438 | < 1/R**2 > | 34.793249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204399 | .92330313 |
| 2 | 1s | 20.989758 | .07299242 |
| 3 | 2s | 8.539551 | .02102465 |
| 4 | 3s | 10.649264 | -.02131937 |
| 5 | 4s | 13.395243 | .01069059 |
| 6 | 5s | 35.529566 | .00079249 |
| 7 | 4s | 81.638304 | -.00004268 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103675 | < R2 > | .014443 | < 1/R > | 14.584887 | < 1/R**2 > | 429.121362 |
Total Energy= -327.15788940 a.u.
Kinetic Energy= 327.16106708 a.u.
Potential Energy= -654.31895648 a.u.
Virial Ratio = -1.99999029