(1s 2 2s 2 2p 2 5p 1 ) 4 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 1.823246 | .08095867 |
| 2 | 3p | .766932 | -.87279736 |
| 3 | 4p | .510130 | 2.77735231 |
| 4 | 5p | .452804 | -2.65094596 |
| 5 | 2p | 3.807540 | .04639940 |
| 6 | 5p | 4.370874 | .00420811 |
| 7 | 3p | 7.289968 | -.00262332 |
| ORB.ENERGY,a.u. | -.099802 | ||
| NORM | 1.000008 | < R > | 14.592987 | < R2 > | 239.472530 | < 1/R > | .096073 | < 1/R**2 > | .033490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.282249 | .77933137 |
| 2 | 2p | 3.870910 | .23315432 |
| 3 | 2p | 8.095683 | .01386966 |
| 4 | 3p | 1.424511 | .02204766 |
| 5 | 4p | 1.186133 | -.01066058 |
| 6 | 5p | 16.848090 | -.00090728 |
| 7 | 5p | 1.133573 | .00361412 |
| 8 | 4p | 24.460628 | -.00016981 |
| ORB.ENERGY,a.u. | -1.893200 | ||
| NORM | 1.000000 | < R > | .984645 | < R2 > | 1.199961 | < 1/R > | 1.318977 | < 1/R**2 > | 2.433803 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680100 | .31133344 |
| 2 | 2s | 2.923746 | -.84313541 |
| 3 | 3s | 2.524270 | -.26500554 |
| 4 | 4s | 9.683882 | .01843329 |
| 5 | 3s | 11.240199 | .00705896 |
| 6 | 5s | 2.696845 | -.00640628 |
| 7 | 5s | 19.640521 | .00063653 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034262 | < R2 > | 1.269320 | < 1/R > | 1.387896 | < 1/R**2 > | 7.838419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339808 | .73694747 |
| 2 | 1s | 10.790670 | .19547372 |
| 3 | 1s | 2.223641 | .00411901 |
| 4 | 2s | 7.733655 | .09951303 |
| 5 | 3s | 8.869315 | -.02277820 |
| 6 | 4s | 15.078995 | .00462254 |
| 7 | 5s | 3.858556 | -.00081178 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198219 | < R2 > | .052890 | < 1/R > | 7.650378 | < 1/R**2 > | 118.571207 |
Total Energy= -73.19906665 a.u.
Kinetic Energy= 73.19998752 a.u.
Potential Energy= -146.39905417 a.u.
Virial Ratio = -1.99998742