(1s 2 2s 2 2p 1 3s 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 7.636779 | .13662278 |
| 2 | 2s | 2.548198 | -.66051999 |
| 3 | 3s | 1.657738 | 1.28772387 |
| 4 | 4s | 5.958011 | -.04823782 |
| 5 | 5s | 10.289403 | -.00788500 |
| 6 | 4s | 1.254688 | .00156207 |
| 7 | 2s | 63.516956 | .00000221 |
| ORB.ENERGY,a.u. | -1.286800 | ||
| NORM | 1.000000 | < R > | 2.370846 | < R2 > | 6.368157 | < 1/R > | .586848 | < 1/R**2 > | 2.038287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.082598 | .84683171 |
| 2 | 2p | 4.754415 | .16340817 |
| 3 | 2p | 10.485100 | .00759770 |
| 4 | 3p | 5.548104 | -.01245366 |
| 5 | 4p | 2.713935 | .02290165 |
| 6 | 4p | 15.597831 | -.00067007 |
| ORB.ENERGY,a.u. | -3.693700 | ||
| NORM | 1.000000 | < R > | .771582 | < R2 > | .728220 | < 1/R > | 1.658251 | < 1/R**2 > | 3.777588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.016419 | .31043340 |
| 2 | 2s | 2.993217 | -.77357618 |
| 3 | 3s | 4.572645 | -.26990901 |
| 4 | 4s | 17.391762 | .00146672 |
| 5 | 5s | 9.451416 | -.01909466 |
| 6 | 5s | 4.405060 | -.00282099 |
| 7 | 4s | 1.806546 | -.00820075 |
| 8 | 3s | 7.007460 | .00825477 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .848969 | < R2 > | .850163 | < 1/R > | 1.702931 | < 1/R**2 > | 11.766942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.051842 | .85146215 |
| 2 | 1s | 12.621243 | .14422659 |
| 3 | 1s | 1.087903 | .00049773 |
| 4 | 2s | 10.965158 | .02151157 |
| 5 | 3s | 9.976187 | -.01554390 |
| 6 | 4s | 16.212754 | .00481102 |
| 7 | 5s | 30.220787 | .00014799 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174834 | < R2 > | .041067 | < 1/R > | 8.657204 | < 1/R**2 > | 151.540741 |
Total Energy= -93.40513988 a.u.
Kinetic Energy= 93.41264890 a.u.
Potential Energy= -186.81778879 a.u.
Virial Ratio = -1.99991961