(1s 2 2s 2 2p 1 5p 1 ) 1 S C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | .141850 | 6.80282036 |
| 2 | 3p | .486737 | -1.70621947 |
| 3 | 4p | .192277 | 13.73183936 |
| 4 | 5p | .228308 | -17.96470457 |
| 5 | 2p | 1.330185 | .00434106 |
| 6 | 4p | .369033 | -3.01281313 |
| 7 | 4p | 7.060857 | -.00928620 |
| 8 | 3p | .092387 | -.07396757 |
| 9 | 5p | 8.956225 | .00242162 |
| 10 | 3p | 5.084984 | .01338830 |
| 11 | 2p | 15.231066 | .00014228 |
| ORB.ENERGY,a.u. | -.016448 | ||
| NORM | .999972 | < R > | 23.389552 | < R2 > | 691.504960 | < 1/R > | .064305 | < 1/R**2 > | .008069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.938775 | .70907623 |
| 2 | 2p | 2.415210 | .12277962 |
| 3 | 2p | 6.309048 | .01379971 |
| 4 | 4p | .192143 | .92439468 |
| 5 | 5p | .231347 | -.91806222 |
| 6 | 5p | 2.698848 | .09990800 |
| 7 | 3p | .403374 | -.04750447 |
| 8 | 5p | 1.937871 | .14527540 |
| 9 | 4p | 22.464002 | .00003901 |
| 10 | 3p | 7.597163 | -.00087498 |
| ORB.ENERGY,a.u. | -.808410 | ||
| NORM | 1.000000 | < R > | 1.512650 | < R2 > | 4.738001 | < 1/R > | .888573 | < 1/R**2 > | 1.110690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580156 | .24021960 |
| 2 | 2s | 1.551936 | -.76079305 |
| 3 | 3s | 2.863830 | -.27257285 |
| 4 | 4s | 11.665303 | .00200117 |
| 5 | 5s | 5.912874 | -.02867392 |
| 6 | 5s | 1.862237 | .02759564 |
| 7 | 2s | 37.623287 | -.00000343 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476166 | < R2 > | 2.591780 | < 1/R > | .960745 | < 1/R**2 > | 3.713069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212840 | .71609438 |
| 2 | 1s | 8.200642 | .22614521 |
| 3 | 1s | 2.390552 | .00356459 |
| 4 | 2s | 6.450987 | .08049703 |
| 5 | 3s | 6.780565 | -.01402384 |
| 6 | 4s | 10.925362 | .00565595 |
| 7 | 5s | 42.397392 | -.00002657 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268110 | < R2 > | .096886 | < 1/R > | 5.668402 | < 1/R**2 > | 65.301020 |
Total Energy= -37.31561733 a.u.
Kinetic Energy= 37.34124125 a.u.
Potential Energy= -74.65685858 a.u.
Virial Ratio = -1.99931379