(1s 2 2s 1 4p 1 ) 3 P F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 1.628284 | 2.31039146 |
| 2 | 3p | 2.031761 | -3.25676346 |
| 3 | 4p | 1.510504 | 2.18002550 |
| 4 | 5p | 2.131118 | -.78458021 |
| 5 | 2p | 10.068386 | .00548815 |
| 6 | 5p | 6.525245 | -.01410008 |
| 7 | 3p | 12.278566 | .00052195 |
| ORB.ENERGY,a.u. | -1.188100 | ||
| NORM | .999999 | < R > | 3.629249 | < R2 > | 14.931795 | < 1/R > | .396953 | < 1/R**2 > | .443400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.423358 | .38412494 |
| 2 | 2s | 3.591213 | -.86913198 |
| 3 | 3s | 4.409140 | -.25466678 |
| 4 | 4s | 11.312129 | .04937360 |
| 5 | 5s | 13.661763 | -.01715435 |
| 6 | 3s | 19.053348 | .00181390 |
| 7 | 5s | 2.477566 | .00350206 |
| 8 | 4s | 2.817296 | -.00705898 |
| ORB.ENERGY,a.u. | -6.437400 | ||
| NORM | 1.000000 | < R > | .780026 | < R2 > | .709833 | < 1/R > | 1.866381 | < 1/R**2 > | 14.069225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.165575 | .86823251 |
| 2 | 1s | 12.311026 | .13228148 |
| 3 | 2s | 6.917994 | .02686705 |
| 4 | 3s | 8.413833 | -.02728256 |
| 5 | 4s | 16.510797 | .00333605 |
| 6 | 5s | 11.313389 | .00066035 |
| 7 | 5s | 54.960516 | -.00004070 |
| 8 | 3s | 3.067186 | .00022815 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174299 | < R2 > | .040770 | < 1/R > | 8.675392 | < 1/R**2 > | 152.052839 |
Total Energy= -83.46446198 a.u.
Kinetic Energy= 83.46724894 a.u.
Potential Energy= -166.93171092 a.u.
Virial Ratio = -1.99996661