(1s 2 2s 2 2p 4 5p 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 3.911423 | .20237762 |
| 2 | 3p | 1.661930 | -2.02093521 |
| 3 | 4p | 1.520668 | 4.06218608 |
| 4 | 5p | 1.284482 | -2.73788161 |
| 5 | 2p | 8.189794 | .04363902 |
| 6 | 5p | 12.619451 | .00346141 |
| 7 | 4p | 30.903550 | -.00013996 |
| 8 | 2p | 2.125441 | -.05922019 |
| 9 | 4p | .616864 | .00177678 |
| ORB.ENERGY,a.u. | -.838650 | ||
| NORM | 1.000003 | < R > | 5.223613 | < R2 > | 30.672885 | < 1/R > | .275105 | < 1/R**2 > | .284686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.648329 | 1.20329240 |
| 2 | 3p | 5.433127 | -.27487534 |
| 3 | 2p | 10.747219 | .06805367 |
| 4 | 4p | 12.591575 | .01306930 |
| 5 | 5p | 30.965917 | -.00018433 |
| 6 | 5p | .987932 | .00607789 |
| 7 | 4p | 98.774931 | .00000306 |
| 8 | 4p | .831734 | -.00559516 |
| ORB.ENERGY,a.u. | -8.724400 | ||
| NORM | 1.000000 | < R > | .484366 | < R2 > | .288619 | < 1/R > | 2.659728 | < 1/R**2 > | 9.783145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.309113 | .37522918 |
| 2 | 2s | 5.731270 | -.84731977 |
| 3 | 3s | 5.081386 | -.30056534 |
| 4 | 4s | 16.623372 | .00791488 |
| 5 | 3s | 17.812478 | .00585313 |
| 6 | 5s | 33.106847 | .00054581 |
| 7 | 5s | 6.096499 | .00911921 |
| 8 | 4s | 2.291830 | .00007694 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533170 | < R2 > | .335446 | < 1/R > | 2.734969 | < 1/R**2 > | 30.623464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204509 | .91772331 |
| 2 | 1s | 19.462681 | .07932110 |
| 3 | 2s | 8.033271 | .01970676 |
| 4 | 3s | 9.918947 | -.01994633 |
| 5 | 4s | 12.301423 | .00938456 |
| 6 | 5s | 33.550452 | .00092620 |
| 7 | 4s | 80.714238 | -.00003729 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111170 | < R2 > | .016603 | < 1/R > | 13.600749 | < 1/R**2 > | 373.207176 |
Total Energy= -272.44513540 a.u.
Kinetic Energy= 272.45456545 a.u.
Potential Energy= -544.89970084 a.u.
Virial Ratio = -1.99996539