(1s 2 2s 2 2p 6 5p 1 ) 2 P Si 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 7.716286 | .03970644 |
| 2 | 2p | 3.636351 | .10258174 |
| 3 | 3p | 1.500018 | -.92120039 |
| 4 | 4p | 1.016418 | 2.85275808 |
| 5 | 5p | .901905 | -2.68238858 |
| 6 | 5p | 10.653507 | .00350335 |
| 7 | 4p | 27.018152 | -.00020303 |
| ORB.ENERGY,a.u. | -.396930 | ||
| NORM | 1.000002 | < R > | 7.342236 | < R2 > | 60.631446 | < 1/R > | .193606 | < 1/R**2 > | .145844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.351693 | .46612516 |
| 2 | 3p | 5.592719 | .50373732 |
| 3 | 4p | 4.346923 | .18753497 |
| 4 | 5p | 3.207208 | .03498304 |
| 5 | 2p | 15.392726 | .00644896 |
| 6 | 5p | 31.626055 | -.00029435 |
| 7 | 3p | 2.685069 | -.07861221 |
| 8 | 4p | 42.977422 | -.00005220 |
| 9 | 4p | .957398 | .00005075 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .530825 | < R2 > | .352222 | < 1/R > | 2.470813 | < 1/R**2 > | 8.603754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.465862 | .34865698 |
| 2 | 2s | 5.542733 | -.82350032 |
| 3 | 3s | 4.606868 | -.31304085 |
| 4 | 4s | 18.521373 | .00775562 |
| 5 | 3s | 21.952013 | .00234133 |
| 6 | 4s | 2.155747 | -.05625129 |
| 7 | 5s | 34.779714 | .00028577 |
| 8 | 5s | 2.345569 | .02738604 |
| 9 | 2s | 87.741281 | .00000227 |
| 10 | 3s | 2.027361 | .03300803 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .561681 | < R2 > | .375163 | < 1/R > | 2.594876 | < 1/R**2 > | 27.772981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587553 | 1.01395171 |
| 2 | 2s | 19.349378 | -.02228903 |
| 3 | 3s | 9.840870 | .02002997 |
| 4 | 4s | 54.074045 | -.00039239 |
| 5 | 4s | 10.883689 | .00267772 |
| 6 | 5s | 70.828573 | .00012069 |
| 7 | 5s | 11.913304 | -.00861072 |
| 8 | 2s | 162.689679 | .00000122 |
| 9 | 2s | 4.814922 | .00070825 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111423 | < R2 > | .016698 | < 1/R > | 13.581865 | < 1/R**2 > | 372.415380 |
Total Energy= -285.57776941 a.u.
Kinetic Energy= 285.57776137 a.u.
Potential Energy= -571.15553078 a.u.
Virial Ratio = -2.00000003