(1s 2 2s 2 2p 2 5p 1 ) 4 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | .111159 | .06952327 |
| 2 | 2p | 2.247983 | .04197204 |
| 3 | 3p | .199215 | -4.86268382 |
| 4 | 4p | .294478 | 4.69242766 |
| 5 | 5p | .856687 | -.15182101 |
| 6 | 2p | 3.735988 | .01077499 |
| 7 | 5p | 3.430261 | .00364096 |
| 8 | 5p | 1.368747 | -.05969393 |
| 9 | 3p | 6.293566 | -.00154596 |
| ORB.ENERGY,a.u. | -.027340 | ||
| NORM | .999978 | < R > | 26.556882 | < R2 > | 794.394153 | < 1/R > | .052260 | < 1/R**2 > | .009452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.431192 | .00570561 |
| 2 | 5p | 8.073091 | .00322684 |
| 3 | 5p | 1.099514 | -.01737318 |
| 4 | 2p | 1.741807 | .72677718 |
| 5 | 2p | 2.996932 | .28923348 |
| 6 | 2p | 7.138223 | .01502787 |
| 7 | 3p | .882500 | .02996673 |
| 8 | 5p | 5.854965 | -.00294808 |
| ORB.ENERGY,a.u. | -1.000800 | ||
| NORM | 1.000000 | < R > | 1.243795 | < R2 > | 1.932897 | < 1/R > | 1.055886 | < 1/R**2 > | 1.580315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.900966 | .28596233 |
| 2 | 2s | 2.451228 | -.83297202 |
| 3 | 3s | 1.981951 | -.26758158 |
| 4 | 4s | 8.378372 | .02209141 |
| 5 | 3s | 10.252276 | .00684261 |
| 6 | 5s | 2.806856 | -.01288867 |
| 7 | 5s | 16.561411 | .00088872 |
| 8 | 3s | .954282 | -.00046633 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253087 | < R2 > | 1.875081 | < 1/R > | 1.140629 | < 1/R**2 > | 5.285080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229883 | .71795160 |
| 2 | 1s | 9.302520 | .22514243 |
| 3 | 1s | 2.655113 | .00485342 |
| 4 | 2s | 6.905057 | .08341008 |
| 5 | 3s | 7.778493 | -.02158324 |
| 6 | 4s | 12.680444 | .00689093 |
| 7 | 5s | 28.045089 | .00017136 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228087 | < R2 > | .070096 | < 1/R > | 6.656689 | < 1/R**2 > | 89.910201 |
Total Energy= -53.91472122 a.u.
Kinetic Energy= 53.91534328 a.u.
Potential Energy= -107.83006450 a.u.
Virial Ratio = -1.99998846