(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 1 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 11.188224 | .01252366 |
| 2 | 2s | 3.458760 | -.03620914 |
| 3 | 3s | 1.657992 | .31044166 |
| 4 | 4s | .648543 | -.56849058 |
| 5 | 5s | .364245 | 1.11148558 |
| 6 | 4s | 2.033538 | -.14056669 |
| 7 | 5s | 29.567413 | .00013330 |
| 8 | 3s | .212754 | .06842997 |
| 9 | 2s | 5.570950 | -.01951731 |
| 10 | 2s | .303854 | -.11934878 |
| ORB.ENERGY,a.u. | -.048320 | ||
| NORM | 1.000001 | < R > | 15.687234 | < R2 > | 276.079424 | < 1/R > | .082320 | < 1/R**2 > | .042461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.389703 | .25576820 |
| 2 | 2p | 1.071762 | -.88315959 |
| 3 | 3p | 1.528021 | -.19841398 |
| 4 | 2p | 6.891529 | .10841865 |
| 5 | 3p | 9.360919 | -.01223661 |
| 6 | 4p | 24.938900 | -.00037583 |
| 7 | 5p | .499342 | -.00231593 |
| 8 | 5p | 75.217064 | -.00001039 |
| 9 | 3p | .641758 | .00383909 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.470639 | < R2 > | 7.099778 | < 1/R > | .529317 | < 1/R**2 > | .616126 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.160168 | 1.63484252 |
| 2 | 1s | 19.082180 | .01952623 |
| 3 | 2s | 4.863995 | -.87075997 |
| 4 | 3s | 1.748458 | -.10189746 |
| 5 | 4s | 3.957697 | -.36887540 |
| 6 | 5s | 6.341166 | -.10158740 |
| 7 | 4s | 1.770668 | .20945203 |
| 8 | 3s | 33.635108 | -.00009689 |
| 9 | 5s | .303821 | .00194423 |
| 10 | 2s | 16.113253 | .01376695 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.091886 | < R2 > | 5.041113 | < 1/R > | .634633 | < 1/R**2 > | 2.228950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177171 | .48226425 |
| 2 | 3p | 5.436523 | .49335003 |
| 3 | 4p | 4.265008 | .12709034 |
| 4 | 5p | 2.745438 | .00338733 |
| 5 | 2p | 14.231048 | .00945181 |
| 6 | 5p | 31.546296 | -.00045819 |
| 7 | 4p | 45.436100 | -.00008185 |
| 8 | 3p | .812483 | .00009384 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535285 | < R2 > | .359492 | < 1/R > | 2.456844 | < 1/R**2 > | 8.523159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398848 | .35141924 |
| 2 | 2s | 4.934914 | -.77287185 |
| 3 | 3s | 4.398145 | -.16879277 |
| 4 | 4s | 21.968783 | .00177893 |
| 5 | 2s | 6.453917 | -.18123759 |
| 6 | 3s | 14.464904 | .01041290 |
| 7 | 4s | 3.411475 | -.00407103 |
| 8 | 4s | 61.782034 | -.00002061 |
| 9 | 5s | 1.778798 | -.00006937 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562539 | < R2 > | .376646 | < 1/R > | 2.592145 | < 1/R**2 > | 27.725500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577897 | 1.01499688 |
| 2 | 2s | 18.820630 | -.02466574 |
| 3 | 3s | 9.622396 | .02347140 |
| 4 | 4s | 48.628465 | -.00008124 |
| 5 | 4s | 27.355516 | .00097346 |
| 6 | 2s | 69.822437 | .00001917 |
| 7 | 5s | 11.890763 | -.00876332 |
| 8 | 3s | 2.584151 | .00063290 |
| 9 | 4s | 2.958457 | -.00051822 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581447 | < 1/R**2 > | 372.394461 |
Total Energy= -288.62258789 a.u.
Kinetic Energy= 288.62141362 a.u.
Potential Energy= -577.24400151 a.u.
Virial Ratio = -2.00000407