(1s 2 2s 2 2p 5 5p 1 ) 3 S Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 9.625012 | .01479302 |
| 2 | 2p | 4.824660 | .15067385 |
| 3 | 3p | 1.771552 | -1.05946099 |
| 4 | 4p | 1.212553 | 3.39611432 |
| 5 | 5p | 1.115935 | -3.12819181 |
| 6 | 5p | 5.204221 | .02812263 |
| 7 | 4p | 24.908736 | -.00029495 |
| 8 | 4p | .477122 | -.00049293 |
| ORB.ENERGY,a.u. | -.605300 | ||
| NORM | 1.000002 | < R > | 6.028072 | < R2 > | 40.849969 | < 1/R > | .238011 | < 1/R**2 > | .220531 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.355490 | 1.25929899 |
| 2 | 3p | 5.161981 | -.34248676 |
| 3 | 4p | 1.297335 | -.01001303 |
| 4 | 2p | 10.460225 | .07948652 |
| 5 | 4p | 12.432021 | .01561233 |
| 6 | 5p | 1.235776 | .00590462 |
| 7 | 4p | 1.677021 | .00515188 |
| 8 | 5p | 75.211069 | .00001325 |
| ORB.ENERGY,a.u. | -7.253900 | ||
| NORM | 1.000000 | < R > | .506817 | < R2 > | .318400 | < 1/R > | 2.563744 | < 1/R**2 > | 9.173408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.399150 | .36109373 |
| 2 | 2s | 5.638904 | -.83022174 |
| 3 | 3s | 4.906853 | -.30165726 |
| 4 | 4s | 17.688774 | .00469087 |
| 5 | 3s | 16.459625 | .00656525 |
| 6 | 5s | 35.157906 | .00035558 |
| 7 | 5s | 4.741862 | -.00293468 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547135 | < R2 > | .354512 | < 1/R > | 2.663802 | < 1/R**2 > | 29.158604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199466 | .91834310 |
| 2 | 1s | 19.515985 | .07854963 |
| 3 | 2s | 7.789760 | .02030338 |
| 4 | 3s | 9.780473 | -.02092726 |
| 5 | 4s | 12.338095 | .01065360 |
| 6 | 5s | 33.330796 | .00087974 |
| 7 | 4s | 77.778219 | -.00004036 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111310 | < R2 > | .016655 | < 1/R > | 13.590234 | < 1/R**2 > | 372.765309 |
Total Energy= -279.69737835 a.u.
Kinetic Energy= 279.70711709 a.u.
Potential Energy= -559.40449544 a.u.
Virial Ratio = -1.99996518