(1s 2 2s 2 2p 1 3p 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 5.409741 | .69860262 |
| 2 | 3p | 3.825857 | -1.35648061 |
| 3 | 2p | 11.334504 | .05078244 |
| 4 | 4p | 13.911014 | .01241605 |
| 5 | 5p | 3.505182 | .01959452 |
| 6 | 4p | 2.261893 | -.00847367 |
| 7 | 5p | 2.275810 | .00352547 |
| 8 | 5p | 94.513403 | .00000742 |
| ORB.ENERGY,a.u. | -7.550400 | ||
| NORM | 1.000000 | < R > | 1.017724 | < R2 > | 1.186916 | < 1/R > | 1.343938 | < 1/R**2 > | 3.718446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.680107 | 1.08080412 |
| 2 | 3p | 8.262282 | -.09467751 |
| 3 | 2p | 15.448646 | .01388855 |
| 4 | 5p | 17.122525 | .00219953 |
| 5 | 4p | 31.161776 | -.00074260 |
| 6 | 5p | 6.329842 | .00540413 |
| 7 | 5p | 94.397962 | -.00001623 |
| 8 | 4p | 5.295795 | -.00304729 |
| ORB.ENERGY,a.u. | -19.700000 | ||
| NORM | 1.000000 | < R > | .366974 | < R2 > | .162930 | < 1/R > | 3.441943 | < 1/R**2 > | 16.015138 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.771782 | .37735150 |
| 2 | 2s | 6.095816 | -.81081713 |
| 3 | 3s | 8.812658 | -.28336996 |
| 4 | 4s | 29.784919 | .00130517 |
| 5 | 5s | 17.049520 | -.00934520 |
| 6 | 5s | 7.001438 | .01477668 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425871 | < R2 > | .212313 | < 1/R > | 3.448415 | < 1/R**2 > | 48.112348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.184547 | .93124232 |
| 2 | 1s | 23.271892 | .06591431 |
| 3 | 2s | 14.117202 | .02011677 |
| 4 | 3s | 17.369628 | -.01465253 |
| 5 | 4s | 84.442488 | -.00004696 |
| 6 | 5s | 37.042861 | .00085568 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096402 | < R2 > | .012448 | < 1/R > | 15.642803 | < 1/R**2 > | 492.522760 |
Total Energy= -323.80879529 a.u.
Kinetic Energy= 323.92616628 a.u.
Potential Energy= -647.73496156 a.u.
Virial Ratio = -1.99963766