(1s 2 2s 2 2p 4 5p 1 ) 4 P S 7+
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 | 4.692826 | .22542691 |
| 2 | 3p | 2.113351 | -2.42531502 |
| 3 | 4p | 1.945391 | 4.77388364 |
| 4 | 5p | 1.691804 | -3.12036355 |
| 5 | 2p | 9.571676 | .04436776 |
| 6 | 5p | 15.352251 | .00271842 |
| 7 | 4p | 36.526867 | -.00010811 |
| ORB.ENERGY,a.u. | -1.450500 | ||
| NORM | 1.000003 | < R > | 4.029018 | < R2 > | 18.249887 | < 1/R > | .357959 | < 1/R**2 > | .472940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.575677 | 1.14471791 |
| 2 | 3p | 6.334191 | -.22300417 |
| 3 | 2p | 12.102018 | .07449706 |
| 4 | 4p | 14.325253 | .01267276 |
| 5 | 5p | 38.230338 | -.00013279 |
| 6 | 5p | 1.327108 | .00064039 |
| 7 | 4p | 2.587448 | -.00075063 |
| ORB.ENERGY,a.u. | -13.528000 | ||
| NORM | 1.000000 | < R > | .404824 | < R2 > | .200703 | < 1/R > | 3.165452 | < 1/R**2 > | 13.771402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.796016 | .39494732 |
| 2 | 2s | 6.773155 | -.85020537 |
| 3 | 3s | 6.247858 | -.29861875 |
| 4 | 4s | 17.564231 | .00975833 |
| 5 | 3s | 21.704571 | .00653870 |
| 6 | 5s | 31.365408 | .00076835 |
| 7 | 5s | 6.153008 | -.00450839 |
| 8 | 2s | 57.145430 | .00004850 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452545 | < R2 > | .241079 | < 1/R > | 3.232663 | < 1/R**2 > | 42.704185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164311 | .91837291 |
| 2 | 1s | 22.032129 | .07826923 |
| 3 | 2s | 9.707983 | .01983940 |
| 4 | 3s | 11.839982 | -.01991949 |
| 5 | 4s | 14.350599 | .00902674 |
| 6 | 5s | 39.002289 | .00079497 |
| 7 | 4s | 91.524340 | -.00002866 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096887 | < R2 > | .012601 | < 1/R > | 15.593035 | < 1/R**2 > | 490.097131 |
Total Energy= -366.69873274 a.u.
Kinetic Energy= 366.71155708 a.u.
Potential Energy= -733.41028982 a.u.
Virial Ratio = -1.99996503