(1s 2 2s 2 2p 5 5p 1 ) 1 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 3.744110 | .14185693 |
| 2 | 3p | 1.498963 | -1.69620532 |
| 3 | 4p | 1.331738 | 3.26094634 |
| 4 | 5p | 1.056793 | -2.33944212 |
| 5 | 2p | 8.028656 | .04050054 |
| 6 | 5p | 11.955874 | .00235184 |
| 7 | 5p | .785171 | .09932965 |
| 8 | 4p | 29.053164 | -.00014912 |
| 9 | 4p | .592283 | -.02981114 |
| ORB.ENERGY,a.u. | -.594500 | ||
| NORM | .999998 | < R > | 6.135007 | < R2 > | 42.316414 | < 1/R > | .232081 | < 1/R**2 > | .202149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.357257 | 1.25679572 |
| 2 | 3p | 5.160242 | -.34000781 |
| 3 | 2p | 10.457375 | .07971294 |
| 4 | 4p | 12.461379 | .01557823 |
| 5 | 4p | .860969 | -.00093273 |
| 6 | 5p | 1.754563 | .00101347 |
| 7 | 4p | 55.503182 | .00001977 |
| ORB.ENERGY,a.u. | -7.243100 | ||
| NORM | 1.000000 | < R > | .506624 | < R2 > | .318112 | < 1/R > | 2.564393 | < 1/R**2 > | 9.177079 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.399971 | .36105722 |
| 2 | 2s | 5.638268 | -.83017346 |
| 3 | 3s | 4.907756 | -.30158241 |
| 4 | 4s | 17.745939 | .00463847 |
| 5 | 3s | 16.433655 | .00657231 |
| 6 | 5s | 35.276456 | .00034906 |
| 7 | 5s | 4.725211 | -.00296795 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547129 | < R2 > | .354504 | < 1/R > | 2.663823 | < 1/R**2 > | 29.159006 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199466 | .91834297 |
| 2 | 1s | 19.515981 | .07854963 |
| 3 | 2s | 7.789785 | .02030371 |
| 4 | 3s | 9.780585 | -.02092752 |
| 5 | 4s | 12.337869 | .01065424 |
| 6 | 5s | 33.329836 | .00087979 |
| 7 | 4s | 77.779983 | -.00004037 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111310 | < R2 > | .016655 | < 1/R > | 13.590231 | < 1/R**2 > | 372.765204 |
Total Energy= -279.69760279 a.u.
Kinetic Energy= 279.69634541 a.u.
Potential Energy= -559.39394820 a.u.
Virial Ratio = -2.00000450