(1s 2 2s 2 2p 1 5p 1 ) 1 D N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 3p | 7.272981 | -.00079438 |
| 2 | 2p | 1.505167 | .09889648 |
| 3 | 3p | .678777 | -1.16336239 |
| 4 | 4p | .487135 | 3.42742132 |
| 5 | 5p | .441667 | -3.04834515 |
| 6 | 2p | 3.985660 | .01279369 |
| 7 | 5p | 2.087526 | .01317327 |
| ORB.ENERGY,a.u. | -.095544 | ||
| NORM | 1.000000 | < R > | 15.242379 | < R2 > | 260.923192 | < 1/R > | .087090 | < 1/R**2 > | .016994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.063891 | .84450964 |
| 2 | 2p | 3.535667 | .17571289 |
| 3 | 2p | 8.066155 | .00900774 |
| 4 | 5p | .633300 | .13688273 |
| 5 | 4p | 1.369342 | -.00852773 |
| 6 | 5p | 2.174958 | .00960093 |
| 7 | 3p | .339865 | -.13923893 |
| 8 | 5p | 15.798204 | -.00027396 |
| ORB.ENERGY,a.u. | -1.608100 | ||
| NORM | 1.000000 | < R > | 1.132718 | < R2 > | 1.928532 | < 1/R > | 1.156587 | < 1/R**2 > | 1.857048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.428660 | .26747419 |
| 2 | 2s | 1.999347 | -.76148349 |
| 3 | 3s | 3.457501 | -.27597229 |
| 4 | 4s | 13.306549 | .00215953 |
| 5 | 5s | 7.045767 | -.02404351 |
| 6 | 5s | 2.291950 | .03236774 |
| 7 | 4s | 30.593576 | .00002671 |
| 8 | 4s | 1.965162 | -.00929432 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179700 | < R2 > | 1.645254 | < 1/R > | 1.210533 | < 1/R**2 > | 5.921540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.272140 | .00615344 |
| 2 | 1s | 6.254453 | .70933612 |
| 3 | 1s | 9.330437 | .22655505 |
| 4 | 2s | 7.137145 | .08427560 |
| 5 | 3s | 7.706940 | -.01452446 |
| 6 | 4s | 12.805653 | .00523254 |
| 7 | 5s | 22.169817 | .00018081 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227676 | < R2 > | .069775 | < 1/R > | 6.663778 | < 1/R**2 > | 90.053586 |
Total Energy= -52.91262662 a.u.
Kinetic Energy= 52.91133654 a.u.
Potential Energy= -105.82396316 a.u.
Virial Ratio = -2.00002438