(1s 2 2s 2 2p 2 5p 1 ) 4 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 3.997327 | .29094505 |
| 2 | 3p | 2.016280 | -2.79887368 |
| 3 | 4p | 1.769594 | 6.86419574 |
| 4 | 5p | 1.702508 | -4.81606709 |
| 5 | 2p | 8.084940 | .04978239 |
| 6 | 5p | 25.594894 | -.00076611 |
| 7 | 4p | 1.342402 | -.15381098 |
| 8 | 4p | 37.706079 | -.00018769 |
| 9 | 5p | .512532 | .00023277 |
| ORB.ENERGY,a.u. | -1.406900 | ||
| NORM | 1.000000 | < R > | 4.154618 | < R2 > | 19.405219 | < 1/R > | .346825 | < 1/R**2 > | .428844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.328799 | 1.18062312 |
| 2 | 3p | 6.419266 | -.20008274 |
| 3 | 2p | 13.622467 | .01851067 |
| 4 | 4p | 14.468493 | .00446218 |
| 5 | 5p | 31.010039 | -.00026528 |
| 6 | 5p | 6.111874 | -.00825948 |
| 7 | 4p | 5.217993 | .00509402 |
| 8 | 3p | .549625 | .00009177 |
| ORB.ENERGY,a.u. | -12.575000 | ||
| NORM | 1.000000 | < R > | .446292 | < R2 > | .242214 | < 1/R > | 2.848214 | < 1/R**2 > | 11.052247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234962 | .39975157 |
| 2 | 2s | 5.921562 | -.84560600 |
| 3 | 3s | 6.124892 | -.27719194 |
| 4 | 4s | 22.978379 | .00230164 |
| 5 | 3s | 13.557149 | .01583399 |
| 6 | 5s | 6.106575 | -.02988706 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506732 | < R2 > | .301261 | < 1/R > | 2.884277 | < 1/R**2 > | 33.799067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161775 | .92627234 |
| 2 | 1s | 20.401925 | .07282723 |
| 3 | 2s | 12.148859 | .01941259 |
| 4 | 3s | 15.601732 | -.01547503 |
| 5 | 5s | 32.740080 | .00104704 |
| 6 | 4s | 78.274688 | -.00004163 |
| 7 | 5s | 10.339952 | .00043477 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110794 | < R2 > | .016465 | < 1/R > | 13.629734 | < 1/R**2 > | 374.434673 |
Total Energy= -252.85884374 a.u.
Kinetic Energy= 252.86861545 a.u.
Potential Energy= -505.72745919 a.u.
Virial Ratio = -1.99996136