(1s 2 2s 2 2p 1 3p 1 ) 3 S S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 5.258345 | .69225787 |
| 2 | 3p | 3.805500 | -1.36567740 |
| 3 | 2p | 10.891310 | .06278821 |
| 4 | 4p | 13.880485 | .01324224 |
| 5 | 5p | 3.324206 | .01527222 |
| 6 | 4p | 2.227793 | -.00824041 |
| 7 | 5p | 2.184589 | .00288067 |
| 8 | 5p | 93.917490 | .00000763 |
| ORB.ENERGY,a.u. | -7.451500 | ||
| NORM | 1.000000 | < R > | 1.027491 | < R2 > | 1.208647 | < 1/R > | 1.327203 | < 1/R**2 > | 3.626296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.706793 | 1.07198119 |
| 2 | 3p | 7.959597 | -.08860285 |
| 3 | 5p | 103.600341 | -.00000368 |
| 4 | 2p | 16.369593 | .01234538 |
| 5 | 5p | 18.738024 | .00150856 |
| 6 | 4p | 31.958737 | -.00037287 |
| 7 | 5p | 6.774143 | .01169777 |
| 8 | 4p | 6.351298 | -.00195751 |
| ORB.ENERGY,a.u. | -19.601000 | ||
| NORM | 1.000000 | < R > | .366341 | < R2 > | .162507 | < 1/R > | 3.449239 | < 1/R**2 > | 16.082530 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.771761 | .37738602 |
| 2 | 2s | 6.096865 | -.81061751 |
| 3 | 3s | 8.812857 | -.28331377 |
| 4 | 4s | 29.962656 | .00128142 |
| 5 | 5s | 16.988200 | -.00949188 |
| 6 | 5s | 6.985658 | .01465655 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425836 | < R2 > | .212275 | < 1/R > | 3.448711 | < 1/R**2 > | 48.120157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.185076 | .93134897 |
| 2 | 1s | 23.274939 | .06581971 |
| 3 | 2s | 14.104980 | .02010245 |
| 4 | 3s | 17.358439 | -.01464418 |
| 5 | 4s | 84.054371 | -.00004767 |
| 6 | 5s | 37.036566 | .00084781 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096402 | < R2 > | .012448 | < 1/R > | 15.642807 | < 1/R**2 > | 492.522960 |
Total Energy= -323.81024057 a.u.
Kinetic Energy= 323.82723234 a.u.
Potential Energy= -647.63747291 a.u.
Virial Ratio = -1.99994753