(1s 2 2s 2 2p 1 5p 1 ) 3 S C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 1.926583 | .08229456 |
| 2 | 4p | .202276 | -2.76289432 |
| 3 | 5p | .324748 | 2.23940744 |
| 4 | 3p | .677394 | -.22992081 |
| 5 | 5p | .699512 | -.22946834 |
| 6 | 5p | 1.784628 | .02415609 |
| 7 | 4p | 3.457305 | -.01310107 |
| 8 | 3p | 4.773985 | -.00521472 |
| 9 | 2p | .130630 | .38159219 |
| ORB.ENERGY,a.u. | -.025823 | ||
| NORM | 1.000003 | < R > | 28.126870 | < R2 > | 890.674068 | < 1/R > | .049120 | < 1/R**2 > | .007935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.590868 | .80536024 |
| 2 | 2p | 2.548296 | .23635870 |
| 3 | 2p | 6.525377 | .01063424 |
| 4 | 3p | 2.729138 | -.05115921 |
| 5 | 4p | 1.503413 | .04396175 |
| 6 | 4p | 10.434138 | -.00062495 |
| ORB.ENERGY,a.u. | -.817780 | ||
| NORM | 1.000000 | < R > | 1.470899 | < R2 > | 2.682872 | < 1/R > | .885919 | < 1/R**2 > | 1.104890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580030 | .24025399 |
| 2 | 2s | 1.552543 | -.76078587 |
| 3 | 3s | 2.861235 | -.27224944 |
| 4 | 4s | 11.716766 | .00196085 |
| 5 | 5s | 5.913635 | -.02899975 |
| 6 | 5s | 1.869521 | .02752905 |
| 7 | 2s | 39.500574 | -.00000298 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476056 | < R2 > | 2.591451 | < 1/R > | .960837 | < 1/R**2 > | 3.713805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213016 | .71610235 |
| 2 | 1s | 8.200315 | .22614191 |
| 3 | 1s | 2.386995 | .00355074 |
| 4 | 2s | 6.449864 | .08051039 |
| 5 | 3s | 6.779715 | -.01402613 |
| 6 | 4s | 10.926046 | .00565295 |
| 7 | 5s | 42.363035 | -.00002662 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268108 | < R2 > | .096884 | < 1/R > | 5.668425 | < 1/R**2 > | 65.301437 |
Total Energy= -37.31810172 a.u.
Kinetic Energy= 37.31804495 a.u.
Potential Energy= -74.63614668 a.u.
Virial Ratio = -2.00000152