(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 S Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p | 1.401965 | -.05495690 |
| 2 | 4p | .461688 | .78493047 |
| 3 | 5p | .290229 | -1.23495062 |
| 4 | 3p | 1.803876 | -.03575814 |
| 5 | 2p | 8.822795 | .00213539 |
| 6 | 2p | 4.073332 | .00989611 |
| 7 | 4p | 11.005059 | .00036623 |
| ORB.ENERGY,a.u. | -.036064 | ||
| NORM | 1.000003 | < R > | 19.926234 | < R2 > | 444.549517 | < 1/R > | .061670 | < 1/R**2 > | .006214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.335228 | .26616374 |
| 2 | 2p | 1.094466 | -.92357051 |
| 3 | 3p | 1.472916 | -.17077492 |
| 4 | 2p | 6.813115 | .11402564 |
| 5 | 3p | 9.161590 | -.01394867 |
| 6 | 4p | .255523 | -.14360642 |
| 7 | 4p | 26.706104 | -.00060656 |
| 8 | 5p | 36.763179 | .00019295 |
| 9 | 5p | .683021 | .01647980 |
| 10 | 3p | .224017 | .11143152 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.465424 | < R2 > | 7.561882 | < 1/R > | .534015 | < 1/R**2 > | .626844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.385713 | -.16452458 |
| 2 | 1s | 9.435678 | .18951897 |
| 3 | 1s | 21.421684 | .00232875 |
| 4 | 2s | 4.196067 | -.27347903 |
| 5 | 3s | 1.737950 | .87024902 |
| 6 | 4s | 3.115110 | .13831268 |
| 7 | 5s | 1.581816 | .08847208 |
| 8 | 4s | 45.648632 | -.00005716 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093292 | < R2 > | 5.047417 | < 1/R > | .634178 | < 1/R**2 > | 2.225324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177108 | .48228098 |
| 2 | 3p | 5.436504 | .49333307 |
| 3 | 4p | 4.265370 | .12707791 |
| 4 | 5p | 2.743832 | .00338840 |
| 5 | 2p | 14.231312 | .00945175 |
| 6 | 5p | 31.545542 | -.00045789 |
| 7 | 4p | 45.426425 | -.00008185 |
| 8 | 3p | .863454 | .00010227 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535276 | < R2 > | .359479 | < 1/R > | 2.456872 | < 1/R**2 > | 8.523321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398813 | .35141225 |
| 2 | 2s | 4.934781 | -.77287306 |
| 3 | 3s | 4.398096 | -.16879329 |
| 4 | 4s | 21.978286 | .00177971 |
| 5 | 2s | 6.454204 | -.18123570 |
| 6 | 3s | 14.460627 | .01041712 |
| 7 | 4s | 3.411948 | -.00407977 |
| 8 | 4s | 61.792421 | -.00002046 |
| 9 | 5s | 1.724462 | -.00007539 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562552 | < R2 > | .376664 | < 1/R > | 2.592083 | < 1/R**2 > | 27.724246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577889 | 1.01499712 |
| 2 | 2s | 18.820827 | -.02466605 |
| 3 | 3s | 9.622128 | .02347231 |
| 4 | 4s | 48.602991 | -.00008122 |
| 5 | 4s | 27.353685 | .00097347 |
| 6 | 2s | 69.801684 | .00001920 |
| 7 | 5s | 11.890194 | -.00876388 |
| 8 | 3s | 2.583599 | .00063300 |
| 9 | 4s | 2.957749 | -.00051826 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581435 | < 1/R**2 > | 372.394005 |
Total Energy= -288.61142762 a.u.
Kinetic Energy= 288.60920221 a.u.
Potential Energy= -577.22062983 a.u.
Virial Ratio = -2.00000771