(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 S Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 1.108633 | -.18350263 |
| 2 | 3p | .291969 | -1.24873814 |
| 3 | 5p | .599937 | 1.05218548 |
| 4 | 4p | .771638 | .87385049 |
| 5 | 2p | 5.180794 | .07213844 |
| 6 | 5p | 3.003120 | -.02084910 |
| 7 | 3p | 7.314282 | -.01458718 |
| 8 | 4p | 17.623457 | -.00052484 |
| 9 | 5p | 52.648150 | -.00001092 |
| ORB.ENERGY,a.u. | -.069586 | ||
| NORM | .999997 | < R > | 8.854259 | < R2 > | 110.120069 | < 1/R > | .155027 | < 1/R**2 > | .047994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.726703 | .25226026 |
| 2 | 3p | 1.662824 | -.31844948 |
| 3 | 5p | 1.275440 | .26260547 |
| 4 | 2p | .854600 | -1.07166174 |
| 5 | 3p | .510895 | .36199593 |
| 6 | 4p | .325168 | -.17727444 |
| 7 | 2p | 7.471101 | .08783352 |
| 8 | 3p | 11.442364 | -.00507188 |
| 9 | 4p | 27.954543 | -.00013988 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.437431 | < R2 > | 9.203640 | < 1/R > | .565135 | < 1/R**2 > | .705592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.352188 | -.15722532 |
| 2 | 1s | 9.492292 | .18380672 |
| 3 | 1s | 21.826706 | .00211583 |
| 4 | 2s | 4.244876 | -.26887081 |
| 5 | 3s | 1.699718 | .86453101 |
| 6 | 4s | 3.078382 | .15549492 |
| 7 | 5s | 1.506831 | .07281241 |
| 8 | 4s | 44.051033 | -.00006412 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.105763 | < R2 > | 5.113837 | < 1/R > | .630574 | < 1/R**2 > | 2.198938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.178861 | .48180953 |
| 2 | 3p | 5.436564 | .49377692 |
| 3 | 4p | 4.260475 | .12729196 |
| 4 | 5p | 2.733120 | .00343532 |
| 5 | 2p | 14.224373 | .00945744 |
| 6 | 5p | 31.538310 | -.00046183 |
| 7 | 4p | 45.524224 | -.00008191 |
| 8 | 3p | .789055 | .00005336 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535503 | < R2 > | .359831 | < 1/R > | 2.456101 | < 1/R**2 > | 8.518769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.395746 | .35145879 |
| 2 | 2s | 4.933487 | -.77307737 |
| 3 | 3s | 4.391901 | -.16915811 |
| 4 | 4s | 22.144659 | .00174322 |
| 5 | 2s | 6.462636 | -.18133621 |
| 6 | 3s | 14.380113 | .01064831 |
| 7 | 4s | 3.306337 | -.00385793 |
| 8 | 4s | 61.018778 | -.00001994 |
| 9 | 5s | .069060 | -.00000026 |
| 10 | 3s | 1.076764 | -.00001367 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562723 | < R2 > | .376923 | < 1/R > | 2.591359 | < 1/R**2 > | 27.710239 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577770 | 1.01499966 |
| 2 | 2s | 18.823121 | -.02466929 |
| 3 | 3s | 9.618863 | .02348374 |
| 4 | 4s | 48.399363 | -.00008094 |
| 5 | 4s | 27.340117 | .00097351 |
| 6 | 2s | 69.698317 | .00001947 |
| 7 | 5s | 11.884307 | -.00876981 |
| 8 | 3s | 2.581908 | .00063110 |
| 9 | 4s | 2.957058 | -.00051832 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111429 | < R2 > | .016700 | < 1/R > | 13.581275 | < 1/R**2 > | 372.387120 |
Total Energy= -288.61286209 a.u.
Kinetic Energy= 288.79081416 a.u.
Potential Energy= -577.40367625 a.u.
Virial Ratio = -1.99938380