(1s 2 2s 2 2p 3 5p 1 ) 5 P S 8+
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 | 4.568265 | .27603198 |
| 2 | 3p | 2.276165 | -2.77734837 |
| 3 | 4p | 2.061855 | 5.96541467 |
| 4 | 5p | 1.903340 | -3.97767749 |
| 5 | 2p | 9.185323 | .05305355 |
| 6 | 5p | 29.325008 | -.00064403 |
| 7 | 4p | 43.051829 | -.00016135 |
| 8 | 5p | 1.626064 | -.06481158 |
| ORB.ENERGY,a.u. | -1.789400 | ||
| NORM | 1.000001 | < R > | 3.674811 | < R2 > | 15.182859 | < 1/R > | .392270 | < 1/R**2 > | .552281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.257344 | 1.29939054 |
| 2 | 3p | 7.992092 | -.37117389 |
| 3 | 4p | 9.806718 | .06832475 |
| 4 | 5p | 28.240093 | -.00193935 |
| 5 | 4p | 3.810148 | .00750220 |
| 6 | 4p | 36.967720 | -.00092908 |
| 7 | 5p | 3.866416 | -.00511222 |
| 8 | 3p | 2.123113 | .00072992 |
| 9 | 3p | 53.527743 | -.00006984 |
| ORB.ENERGY,a.u. | -16.104000 | ||
| NORM | 1.000000 | < R > | .389778 | < R2 > | .185022 | < 1/R > | 3.266251 | < 1/R**2 > | 14.556334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.657136 | .41071923 |
| 2 | 2s | 6.882263 | -.86185894 |
| 3 | 3s | 6.640907 | -.28878313 |
| 4 | 4s | 27.137028 | .00198114 |
| 5 | 3s | 14.755787 | .01645327 |
| 6 | 5s | 6.777795 | -.01338767 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .442829 | < R2 > | .230290 | < 1/R > | 3.307081 | < 1/R**2 > | 44.539310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176151 | .93716154 |
| 2 | 1s | 23.606854 | .06079142 |
| 3 | 2s | 13.651780 | .01850003 |
| 4 | 3s | 19.155389 | -.01478337 |
| 5 | 4s | 29.393542 | .00271932 |
| 6 | 5s | 54.988032 | .00008615 |
| 7 | 5s | 11.603369 | .00055635 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096739 | < R2 > | .012554 | < 1/R > | 15.608080 | < 1/R**2 > | 490.828224 |
Total Energy= -353.18250425 a.u.
Kinetic Energy= 353.19249062 a.u.
Potential Energy= -706.37499487 a.u.
Virial Ratio = -1.99997173