(1s 2 2s 2 2p 1 5p 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2.344069 | .02427435 |
| 2 | 3p | .990932 | -.15955108 |
| 3 | 4p | .208294 | 7.62239629 |
| 4 | 5p | .290144 | -6.97744704 |
| 5 | 5p | 3.131571 | .00758044 |
| 6 | 3p | .089902 | -1.82532084 |
| 7 | 4p | .519719 | .60208565 |
| 8 | 4p | 8.067790 | -.00046772 |
| 9 | 5p | .109223 | .93034358 |
| ORB.ENERGY,a.u. | -.021822 | ||
| NORM | .999982 | < R > | 25.686248 | < R2 > | 782.801551 | < 1/R > | .054251 | < 1/R**2 > | .005246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.696994 | .00228384 |
| 2 | 2p | 1.857954 | .86492204 |
| 3 | 3p | .173937 | .06700690 |
| 4 | 2p | 4.186278 | .04454446 |
| 5 | 5p | 2.278986 | .08870437 |
| 6 | 4p | 7.993534 | -.00220851 |
| 7 | 5p | 1.761914 | .07394469 |
| 8 | 4p | .233147 | -.06642725 |
| ORB.ENERGY,a.u. | -.813780 | ||
| NORM | 1.000000 | < R > | 1.474019 | < R2 > | 2.748807 | < 1/R > | .885170 | < 1/R**2 > | 1.103306 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579943 | .24032753 |
| 2 | 2s | 1.552555 | -.76078686 |
| 3 | 3s | 2.863906 | -.27253663 |
| 4 | 4s | 11.674609 | .00199868 |
| 5 | 5s | 5.911003 | -.02876575 |
| 6 | 5s | 1.861369 | .02769545 |
| 7 | 2s | 38.052782 | -.00000334 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475620 | < R2 > | 2.589708 | < 1/R > | .961100 | < 1/R**2 > | 3.715739 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213071 | .71610907 |
| 2 | 1s | 8.200249 | .22614599 |
| 3 | 1s | 2.381972 | .00351937 |
| 4 | 2s | 6.449670 | .08052482 |
| 5 | 3s | 6.779584 | -.01402151 |
| 6 | 4s | 10.926418 | .00565293 |
| 7 | 5s | 42.354888 | -.00002662 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096881 | < 1/R > | 5.668469 | < 1/R**2 > | 65.302198 |
Total Energy= -37.31435089 a.u.
Kinetic Energy= 37.32369449 a.u.
Potential Energy= -74.63804539 a.u.
Virial Ratio = -1.99974966