(1s 2 2s 1 5p 1 ) 1 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 1.659761 | 5.43006478 |
| 2 | 3p | 2.756837 | -6.31623669 |
| 3 | 4p | 2.128854 | 7.28701040 |
| 4 | 5p | 2.178203 | -7.74060683 |
| 5 | 2p | 9.605344 | .02368147 |
| 6 | 5p | 12.007102 | .00074514 |
| 7 | 4p | 28.055443 | -.00040992 |
| 8 | 5p | .964542 | -.00105091 |
| 9 | 5p | 89.389803 | -.00000896 |
| ORB.ENERGY,a.u. | -2.475800 | ||
| NORM | 1.000001 | < R > | 3.244607 | < R2 > | 11.853047 | < 1/R > | .450772 | < 1/R**2 > | .702582 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.538529 | .41726504 |
| 2 | 2s | 5.965710 | -.80271673 |
| 3 | 3s | 7.246082 | -.30287269 |
| 4 | 5s | 11.964638 | -.02242159 |
| 5 | 4s | 23.404543 | .00875046 |
| 6 | 5s | 30.005381 | -.00234762 |
| 7 | 3s | 49.675658 | .00010422 |
| 8 | 5s | 2.170369 | .00047790 |
| 9 | 4s | 2.215507 | -.00052946 |
| ORB.ENERGY,a.u. | -18.805000 | ||
| NORM | 1.000000 | < R > | .471518 | < R2 > | .259281 | < 1/R > | 3.123941 | < 1/R**2 > | 39.341620 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.408906 | .93585749 |
| 2 | 1s | 21.351844 | .05210737 |
| 3 | 2s | 16.451994 | .01650134 |
| 4 | 3s | 9.953932 | .00167765 |
| 5 | 4s | 56.391803 | -.00049011 |
| 6 | 5s | 75.399642 | .00017962 |
| 7 | 5s | 6.545972 | .00010736 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110260 | < R2 > | .016277 | < 1/R > | 13.673945 | < 1/R**2 > | 376.363324 |
Total Energy= -209.01966888 a.u.
Kinetic Energy= 209.01251442 a.u.
Potential Energy= -418.03218330 a.u.
Virial Ratio = -2.00003423