(1s 2 2s 2 2p 2 5s 1 ) 4 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 7.702763 | .02859998 |
| 2 | 2s | 2.228339 | -.14998262 |
| 3 | 3s | .928027 | .76219146 |
| 4 | 4s | .603335 | -2.07759988 |
| 5 | 5s | .492188 | 2.05763032 |
| 6 | 5s | 6.843532 | -.01034979 |
| 7 | 4s | 16.248143 | .00179126 |
| 8 | 5s | 22.476719 | -.00054502 |
| 9 | 2s | 10.075953 | .00258479 |
| ORB.ENERGY,a.u. | -.115080 | ||
| NORM | .999997 | < R > | 13.084419 | < R2 > | 191.777208 | < 1/R > | .107001 | < 1/R**2 > | .109956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.313567 | .78079171 |
| 2 | 2p | 3.913863 | .21971963 |
| 3 | 2p | 8.003755 | .01426956 |
| 4 | 3p | 1.603691 | .03833343 |
| 5 | 4p | 1.358952 | -.01531628 |
| 6 | 5p | 15.498821 | -.00095564 |
| 7 | 5p | 1.339234 | .00497627 |
| 8 | 4p | 42.361516 | .00001834 |
| 9 | 3p | 14.541775 | -.00055577 |
| ORB.ENERGY,a.u. | -1.889500 | ||
| NORM | 1.000000 | < R > | .985288 | < R2 > | 1.201641 | < 1/R > | 1.318264 | < 1/R**2 > | 2.431444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.677182 | .31152962 |
| 2 | 2s | 2.928594 | -.84171557 |
| 3 | 3s | 2.530935 | -.26477865 |
| 4 | 4s | 9.669952 | .01919554 |
| 5 | 3s | 11.501177 | .00664863 |
| 6 | 5s | 2.813359 | -.00749350 |
| 7 | 4s | .657331 | .01556448 |
| 8 | 2s | .329860 | -.01624204 |
| 9 | 5s | 19.259191 | .00073911 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034612 | < R2 > | 1.272538 | < 1/R > | 1.387787 | < 1/R**2 > | 7.837886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.336998 | .73736353 |
| 2 | 1s | 10.807324 | .19505999 |
| 3 | 1s | 1.971066 | .00461859 |
| 4 | 2s | 7.759644 | .09951679 |
| 5 | 3s | 8.909520 | -.02278182 |
| 6 | 4s | 15.087551 | .00464261 |
| 7 | 5s | .380089 | .00054686 |
| 8 | 4s | 3.270322 | -.00144642 |
| 9 | 3s | .271836 | -.00042372 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198213 | < R2 > | .052892 | < 1/R > | 7.650524 | < 1/R**2 > | 118.574540 |
Total Energy= -73.21428006 a.u.
Kinetic Energy= 73.21523421 a.u.
Potential Energy= -146.42951427 a.u.
Virial Ratio = -1.99998697