(1s 1 5p 1 ) 3 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 1.987750 | 5.94163590 |
| 2 | 3p | 3.273627 | -6.66147566 |
| 3 | 4p | 2.294114 | 9.21004381 |
| 4 | 5p | 2.482877 | -10.00642060 |
| 5 | 5p | 6.690411 | .05031953 |
| 6 | 4p | 15.667167 | -.00520011 |
| 7 | 5p | 36.147331 | -.00045627 |
| 8 | 4p | 1.224136 | -.01397034 |
| 9 | 4p | 55.640717 | -.00008582 |
| 10 | 5p | 1.054322 | .00299423 |
| ORB.ENERGY,a.u. | -3.656000 | ||
| NORM | .999996 | < R > | 2.793317 | < R2 > | 8.785404 | < 1/R > | .523345 | < 1/R**2 > | .924143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.753939 | .88936186 |
| 2 | 1s | 16.401917 | .10555202 |
| 3 | 2s | 15.558268 | .01028412 |
| 4 | 3s | 14.209214 | -.00532323 |
| 5 | 4s | 16.031433 | .00025446 |
| 6 | 5s | 17.900817 | .00030758 |
| ORB.ENERGY,a.u. | -97.736000 |
| NORM | 1.000000 | < R > | .107162 | < R2 > | .015312 | < 1/R > | 13.998084 | < 1/R**2 > | 391.911552 |
Total Energy= -101.39129430 a.u.
Kinetic Energy= 101.39703944 a.u.
Potential Energy= -202.78833375 a.u.
Virial Ratio = -1.99994334