(1s 2 2s 1 3p 1 ) 3 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 1.483870 | .75648048 |
| 2 | 3p | 1.066819 | -1.35831023 |
| 3 | 2p | 4.735597 | .03129721 |
| 4 | 4p | 4.889035 | .01740758 |
| 5 | 5p | 2.760066 | -.03800780 |
| ORB.ENERGY,a.u. | -.567610 | ||
| NORM | 1.000000 | < R > | 3.670018 | < R2 > | 15.464453 | < 1/R > | .376555 | < 1/R**2 > | .302507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.071673 | .32398673 |
| 2 | 2s | 2.167920 | -.86400696 |
| 3 | 3s | 2.667660 | -.23116632 |
| 4 | 4s | 5.898173 | .02358663 |
| 5 | 3s | 6.493695 | .03320533 |
| 6 | 5s | 2.293356 | -.01026774 |
| 7 | 4s | 1.745598 | -.01085590 |
| 8 | 5s | 22.338592 | -.00030386 |
| 9 | 4s | 33.183885 | -.00007712 |
| ORB.ENERGY,a.u. | -2.023600 | ||
| NORM | 1.000000 | < R > | 1.292016 | < R2 > | 1.952412 | < 1/R > | 1.106666 | < 1/R**2 > | 4.933638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.279694 | .87997803 |
| 2 | 1s | 8.515996 | .12840419 |
| 3 | 2s | 3.721743 | .02050850 |
| 4 | 3s | 6.024196 | -.02315847 |
| 5 | 4s | 10.761184 | .00569103 |
| 6 | 5s | 5.428641 | -.00581959 |
| 7 | 5s | 40.618133 | -.00003401 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267492 | < R2 > | .096349 | < 1/R > | 5.677097 | < 1/R**2 > | 65.460422 |
Total Energy= -35.28893719 a.u.
Kinetic Energy= 35.29363371 a.u.
Potential Energy= -70.58257090 a.u.
Virial Ratio = -1.99986693