(1s 2 2s 2 2p 4 3s 1 ) 4 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 13.417227 | .15804320 |
| 2 | 2s | 4.739152 | -.71791628 |
| 3 | 3s | 3.216529 | 1.34030601 |
| 4 | 4s | 13.670908 | -.02050818 |
| 5 | 5s | 10.480835 | -.01167343 |
| 6 | 3s | 9.234744 | -.04282747 |
| 7 | 5s | 65.728405 | -.00002307 |
| 8 | 5s | 3.430129 | -.00426727 |
| 9 | 2s | 72.502175 | .00000829 |
| ORB.ENERGY,a.u. | -4.953400 | ||
| NORM | 1.000000 | < R > | 1.230386 | < R2 > | 1.717777 | < 1/R > | 1.152503 | < 1/R**2 > | 8.094444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.628804 | 1.15455661 |
| 2 | 3p | 6.543439 | -.22504040 |
| 3 | 2p | 12.304014 | .06539003 |
| 4 | 4p | 13.000763 | .01047610 |
| 5 | 5p | 20.723947 | .00232224 |
| 6 | 5p | 4.907835 | .00244750 |
| ORB.ENERGY,a.u. | -12.904000 | ||
| NORM | 1.000000 | < R > | .406225 | < R2 > | .202322 | < 1/R > | 3.157192 | < 1/R**2 > | 13.708121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.000334 | .34374806 |
| 2 | 2s | 5.588359 | -.84699292 |
| 3 | 3s | 8.790147 | -.22445937 |
| 4 | 4s | 3.351461 | -.04403602 |
| 5 | 5s | 18.833071 | -.01034776 |
| 6 | 4s | 60.702650 | -.00006401 |
| 7 | 3s | 2.831688 | .04410139 |
| 8 | 4s | 1.131308 | -.00441019 |
| 9 | 5s | 1.291238 | .00392156 |
| 10 | 5s | 31.799365 | -.00040269 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .455158 | < R2 > | .244595 | < 1/R > | 3.218531 | < 1/R**2 > | 42.388741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.165285 | .91792323 |
| 2 | 1s | 22.107534 | .07808736 |
| 3 | 2s | 10.976190 | .01894184 |
| 4 | 3s | 13.463558 | -.01665083 |
| 5 | 4s | 15.574602 | .00728642 |
| 6 | 5s | 38.913359 | .00082195 |
| 7 | 4s | 3.909374 | .00046038 |
| 8 | 3s | 63.695869 | -.00006304 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096879 | < R2 > | .012599 | < 1/R > | 15.593718 | < 1/R**2 > | 490.124732 |
Total Energy= -370.17171191 a.u.
Kinetic Energy= 370.20223020 a.u.
Potential Energy= -740.37394211 a.u.
Virial Ratio = -1.99991756