(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 F Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 4d- electron | |
| 1 | 3d | .370136 | .47217562 |
| 2 | 4d | .216212 | -1.80991894 |
| 3 | 3d | .323672 | .91247949 |
| 4 | 4d | .898982 | -.12183478 |
| 5 | 5d | .620247 | -.29072176 |
| 6 | 5d | .211148 | .37519128 |
| 7 | 3d | 5.034309 | .00075428 |
| 8 | 4d | 3.092049 | .00265988 |
| ORB.ENERGY,a.u. | -.030450 | ||
| NORM | 1.000002 | < R > | 21.645341 | < R2 > | 534.292814 | < 1/R > | .060191 | < 1/R**2 > | .005756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.464691 | .24295772 |
| 2 | 2p | 1.017364 | -.84491919 |
| 3 | 3p | 1.622896 | -.25171391 |
| 4 | 2p | 6.934569 | .10571294 |
| 5 | 3p | 9.307636 | -.01197467 |
| 6 | 4p | 1.405438 | .00873298 |
| 7 | 4p | 24.148489 | -.00043397 |
| 8 | 5p | 70.502782 | -.00001417 |
| 9 | 5p | 1.100286 | .02821876 |
| 10 | 3p | .150561 | -.00080734 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.463967 | < R2 > | 7.056753 | < 1/R > | .530699 | < 1/R**2 > | .619454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.344463 | -.16188084 |
| 2 | 1s | 9.468110 | .18691628 |
| 3 | 1s | 21.611886 | .00222488 |
| 4 | 2s | 4.211524 | -.27200433 |
| 5 | 3s | 1.729631 | .86681396 |
| 6 | 4s | 3.096213 | .14490095 |
| 7 | 5s | 1.569866 | .08376740 |
| 8 | 4s | 45.351584 | -.00005967 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.092952 | < R2 > | 5.046249 | < 1/R > | .634350 | < 1/R**2 > | 2.226891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .846404 | .00011218 |
| 2 | 2p | 7.176972 | .48231365 |
| 3 | 3p | 5.436484 | .49330110 |
| 4 | 4p | 4.265746 | .12706307 |
| 5 | 5p | 2.747666 | .00337768 |
| 6 | 2p | 14.231728 | .00945154 |
| 7 | 5p | 31.545943 | -.00045767 |
| 8 | 4p | 45.421630 | -.00008183 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535261 | < R2 > | .359454 | < 1/R > | 2.456920 | < 1/R**2 > | 8.523600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398856 | .35141679 |
| 2 | 2s | 4.934869 | -.77287209 |
| 3 | 3s | 4.398219 | -.16879137 |
| 4 | 4s | 21.977196 | .00177980 |
| 5 | 2s | 6.453993 | -.18123663 |
| 6 | 3s | 14.462109 | .01041439 |
| 7 | 4s | 3.415153 | -.00406842 |
| 8 | 4s | 61.757870 | -.00002048 |
| 9 | 5s | 1.704709 | -.00007748 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562540 | < R2 > | .376646 | < 1/R > | 2.592132 | < 1/R**2 > | 27.725201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577897 | 1.01499680 |
| 2 | 2s | 18.820734 | -.02466568 |
| 3 | 3s | 9.622313 | .02347166 |
| 4 | 4s | 48.615282 | -.00008123 |
| 5 | 4s | 27.354316 | .00097346 |
| 6 | 2s | 69.808579 | .00001919 |
| 7 | 5s | 11.890511 | -.00876356 |
| 8 | 3s | 2.583708 | .00063317 |
| 9 | 4s | 2.957830 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581444 | < 1/R**2 > | 372.394383 |
Total Energy= -288.60547875 a.u.
Kinetic Energy= 288.60358318 a.u.
Potential Energy= -577.20906193 a.u.
Virial Ratio = -2.00000657