(1s 2 2s 2 2p 3 5p 1 ) 5 P F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 2.243478 | .07458807 |
| 2 | 3p | .841215 | -.73081375 |
| 3 | 4p | .525678 | 2.48092322 |
| 4 | 5p | .462966 | -2.48419489 |
| 5 | 2p | 4.557953 | .03441795 |
| 6 | 5p | 5.676310 | .00238077 |
| 7 | 3p | 8.606959 | -.00169574 |
| ORB.ENERGY,a.u. | -.103020 | ||
| NORM | 1.000003 | < R > | 14.129629 | < R2 > | 224.577473 | < 1/R > | .099233 | < 1/R**2 > | .036426 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.523488 | .74134890 |
| 2 | 2p | 4.215650 | .26271042 |
| 3 | 2p | 8.691252 | .01922877 |
| 4 | 3p | 2.034366 | -.00062543 |
| 5 | 4p | 2.322367 | .02284793 |
| 6 | 5p | 11.075701 | .00345534 |
| 7 | 5p | 1.214648 | -.00015171 |
| ORB.ENERGY,a.u. | -2.173400 | ||
| NORM | 1.000000 | < R > | .878450 | < R2 > | .960128 | < 1/R > | 1.486679 | < 1/R**2 > | 3.108289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.493384 | .31489529 |
| 2 | 2s | 3.315046 | -.84170500 |
| 3 | 3s | 2.752056 | -.27128405 |
| 4 | 4s | 10.989804 | .01345637 |
| 5 | 3s | 12.366861 | .00732973 |
| 6 | 5s | 3.827353 | -.00453249 |
| 7 | 5s | 34.915264 | -.00007176 |
| 8 | 3s | 28.589500 | -.00012591 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .920933 | < R2 > | 1.009485 | < 1/R > | 1.565196 | < 1/R**2 > | 10.024282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.100397 | .85248866 |
| 2 | 1s | 11.746724 | .15439047 |
| 3 | 2s | 8.233215 | -.00550301 |
| 4 | 3s | 5.356333 | .00328834 |
| 5 | 4s | 17.402650 | .00389215 |
| 6 | 5s | 85.301950 | -.00000232 |
| 7 | 3s | 17.770460 | -.00006622 |
| 8 | 5s | 2.502093 | .00005372 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175516 | < R2 > | .041469 | < 1/R > | 8.636830 | < 1/R**2 > | 151.001372 |
Total Energy= -97.71040721 a.u.
Kinetic Energy= 97.71199486 a.u.
Potential Energy= -195.42240207 a.u.
Virial Ratio = -1.99998375