(1s 2 2s 2 2p 2 5p 1 ) 4 P Si 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 | 3.894102 | .29370157 |
| 2 | 3p | 2.001460 | -2.86586210 |
| 3 | 4p | 1.765174 | 6.94187667 |
| 4 | 5p | 1.697099 | -4.85726974 |
| 5 | 2p | 7.980282 | .05377600 |
| 6 | 5p | 25.748344 | -.00074819 |
| 7 | 4p | 1.330908 | -.12899921 |
| 8 | 4p | 37.859705 | -.00018475 |
| ORB.ENERGY,a.u. | -1.402000 | ||
| NORM | 1.000001 | < R > | 4.167854 | < R2 > | 19.530290 | < 1/R > | .345670 | < 1/R**2 > | .425821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.318766 | 1.16821526 |
| 2 | 3p | 6.327266 | -.18983860 |
| 3 | 2p | 13.569316 | .02038672 |
| 4 | 4p | 15.265806 | .00599150 |
| 5 | 5p | 24.279453 | -.00053871 |
| 6 | 5p | 1.013282 | .00010473 |
| 7 | 4p | 5.445764 | -.00270939 |
| 8 | 3p | 39.168503 | .00005324 |
| ORB.ENERGY,a.u. | -12.571000 | ||
| NORM | 1.000000 | < R > | .446254 | < R2 > | .242172 | < 1/R > | 2.848449 | < 1/R**2 > | 11.053998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.235033 | .39974857 |
| 2 | 2s | 5.921528 | -.84560124 |
| 3 | 3s | 6.125035 | -.27719472 |
| 4 | 4s | 22.980612 | .00230009 |
| 5 | 3s | 13.556696 | .01583823 |
| 6 | 5s | 6.106182 | -.02988839 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506732 | < R2 > | .301260 | < 1/R > | 2.884281 | < 1/R**2 > | 33.799184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161775 | .92627215 |
| 2 | 1s | 20.401925 | .07282722 |
| 3 | 2s | 12.148596 | .01941306 |
| 4 | 3s | 15.601565 | -.01547518 |
| 5 | 5s | 32.740479 | .00104704 |
| 6 | 4s | 78.274227 | -.00004159 |
| 7 | 5s | 10.340163 | .00043480 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110794 | < R2 > | .016465 | < 1/R > | 13.629731 | < 1/R**2 > | 374.434538 |
Total Energy= -252.85887606 a.u.
Kinetic Energy= 252.86373490 a.u.
Potential Energy= -505.72261095 a.u.
Virial Ratio = -1.99998078