(1s 2 2s 1 3p 1 ) 3 P S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 5.195244 | 1.03950132 |
| 2 | 3p | 4.397050 | -1.64910869 |
| 3 | 2p | 12.385937 | .03181114 |
| 4 | 4p | 13.319307 | .01437157 |
| 5 | 3p | 26.833609 | .00010158 |
| 6 | 5p | 2.577781 | .00013833 |
| 7 | 4p | 31.765497 | -.00015274 |
| ORB.ENERGY,a.u. | -9.785100 | ||
| NORM | 1.000000 | < R > | .922819 | < R2 > | .981190 | < 1/R > | 1.509287 | < 1/R**2 > | 4.658075 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.295929 | .41697175 |
| 2 | 2s | 6.726531 | -.80681473 |
| 3 | 3s | 8.631911 | -.29541448 |
| 4 | 5s | 14.427878 | -.02064345 |
| 5 | 4s | 28.525472 | .00437658 |
| 6 | 5s | 37.827704 | -.00088018 |
| 7 | 4s | 4.127973 | -.00034439 |
| 8 | 3s | 58.561301 | .00004391 |
| ORB.ENERGY,a.u. | -24.750000 | ||
| NORM | 1.000000 | < R > | .409511 | < R2 > | .195779 | < 1/R > | 3.605930 | < 1/R**2 > | 52.432829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.406299 | .93849989 |
| 2 | 1s | 24.245479 | .04900203 |
| 3 | 2s | 18.615283 | .01658855 |
| 4 | 3s | 11.743478 | .00147704 |
| 5 | 4s | 64.188729 | -.00042966 |
| 6 | 5s | 85.602897 | .00015638 |
| 7 | 5s | 19.708377 | .00022385 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096166 | < R2 > | .012376 | < 1/R > | 15.669399 | < 1/R**2 > | 493.872715 |
Total Energy= -281.74690357 a.u.
Kinetic Energy= 281.76461384 a.u.
Potential Energy= -563.51151741 a.u.
Virial Ratio = -1.99993715