(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 F Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 5d- electron | |
| 1 | 3d | .212484 | 2.88821312 |
| 2 | 4d | .190003 | -9.01519941 |
| 3 | 5d | .194457 | 7.23342693 |
| 4 | 3d | .835940 | .07010503 |
| 5 | 4d | .888079 | -.21703169 |
| 6 | 5d | 1.041998 | .12029275 |
| 7 | 3d | 4.429987 | .00069319 |
| 8 | 3d | .133490 | -.25531045 |
| ORB.ENERGY,a.u. | -.019583 | ||
| NORM | .999958 | < R > | 35.298574 | < R2 > | 1411.884848 | < 1/R > | .038868 | < 1/R**2 > | .002997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.468894 | .24333653 |
| 2 | 2p | 1.015072 | -.84783813 |
| 3 | 3p | 1.635875 | -.24474281 |
| 4 | 2p | 6.966624 | .10416167 |
| 5 | 3p | 9.440275 | -.01122544 |
| 6 | 4p | 1.101143 | .00277404 |
| 7 | 4p | 24.461342 | -.00040004 |
| 8 | 5p | 71.778708 | -.00001249 |
| 9 | 5p | 1.145824 | .02942765 |
| 10 | 3p | .211963 | -.00037684 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.466926 | < R2 > | 7.076983 | < 1/R > | .530195 | < 1/R**2 > | .618359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.835804 | -.14206063 |
| 2 | 1s | 9.522158 | .18628998 |
| 3 | 1s | 22.409522 | .00187217 |
| 4 | 2s | 4.351627 | -.28712279 |
| 5 | 3s | 1.703203 | .84961443 |
| 6 | 4s | 3.021030 | .16695373 |
| 7 | 5s | 1.552890 | .07155572 |
| 8 | 4s | 43.743327 | -.00007161 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.092539 | < R2 > | 5.043916 | < 1/R > | .634458 | < 1/R**2 > | 2.227681 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.176961 | .48231620 |
| 2 | 3p | 5.436484 | .49329844 |
| 3 | 4p | 4.265785 | .12706166 |
| 4 | 5p | 2.748446 | .00337587 |
| 5 | 2p | 14.231739 | .00945158 |
| 6 | 5p | 31.545919 | -.00045766 |
| 7 | 4p | 45.420527 | -.00008184 |
| 8 | 3p | .847197 | .00011190 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535259 | < R2 > | .359451 | < 1/R > | 2.456925 | < 1/R**2 > | 8.523624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398883 | .35141644 |
| 2 | 2s | 4.934862 | -.77287207 |
| 3 | 3s | 4.398265 | -.16878958 |
| 4 | 4s | 21.975172 | .00177933 |
| 5 | 2s | 6.453988 | -.18123603 |
| 6 | 3s | 14.463387 | .01041351 |
| 7 | 4s | 3.414817 | -.00406784 |
| 8 | 4s | 61.729527 | -.00002051 |
| 9 | 5s | 1.694337 | -.00007666 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562539 | < R2 > | .376643 | < 1/R > | 2.592139 | < 1/R**2 > | 27.725330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577897 | 1.01499687 |
| 2 | 2s | 18.820702 | -.02466576 |
| 3 | 3s | 9.622350 | .02347156 |
| 4 | 4s | 48.616868 | -.00008123 |
| 5 | 4s | 27.354614 | .00097346 |
| 6 | 2s | 69.808633 | .00001919 |
| 7 | 5s | 11.890577 | -.00876349 |
| 8 | 3s | 2.583781 | .00063319 |
| 9 | 4s | 2.957918 | -.00051824 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581445 | < 1/R**2 > | 372.394431 |
Total Energy= -288.59380104 a.u.
Kinetic Energy= 288.59271576 a.u.
Potential Energy= -577.18651681 a.u.
Virial Ratio = -2.00000376