(1s 2 2s 2 2p 2 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 5.520751 | 1.09923380 |
| 2 | 3p | 7.092894 | -.11971108 |
| 3 | 2p | 13.440448 | .01712211 |
| 4 | 5p | 16.508581 | .00306912 |
| 5 | 4p | 30.070852 | -.00022803 |
| 6 | 5p | 5.720908 | .01661222 |
| 7 | 5p | 97.621134 | -.00000240 |
| 8 | 4p | 5.193052 | -.00613835 |
| ORB.ENERGY,a.u. | -12.913000 | ||
| NORM | 1.000000 | < R > | .446062 | < R2 > | .241925 | < 1/R > | 2.849248 | < 1/R**2 > | 11.058872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.032591 | .36095793 |
| 2 | 2s | 5.238672 | -.81721750 |
| 3 | 3s | 6.970946 | -.28473616 |
| 4 | 4s | 25.976449 | .00128916 |
| 5 | 5s | 15.162883 | -.00903301 |
| 6 | 5s | 8.848653 | .02709850 |
| 7 | 4s | 3.157728 | .00015649 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .506340 | < R2 > | .300765 | < 1/R > | 2.886600 | < 1/R**2 > | 33.849618 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.195867 | .94118542 |
| 2 | 1s | 20.840522 | .06123750 |
| 3 | 2s | 10.871738 | .01631009 |
| 4 | 3s | 14.850042 | -.01470071 |
| 5 | 4s | 51.952033 | -.00033870 |
| 6 | 5s | 5.147180 | .00022112 |
| 7 | 5s | 4.657090 | -.00016582 |
| 8 | 3s | 77.662558 | -.00004843 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110787 | < R2 > | .016463 | < 1/R > | 13.630370 | < 1/R**2 > | 374.462253 |
Total Energy= -251.46242991 a.u.
Kinetic Energy= 251.46243002 a.u.
Potential Energy= -502.92485994 a.u.
Virial Ratio = -2.00000000