(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 3 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | .316905 | 1.07996793 |
| 2 | 4d | .224114 | -2.34712124 |
| 3 | 3d | .633750 | .47490506 |
| 4 | 4d | .892534 | -.28404136 |
| 5 | 5d | .702557 | -.17827753 |
| 6 | 5d | .232409 | .84820442 |
| 7 | 3d | 4.773173 | .00258606 |
| 8 | 4d | 2.833509 | .00762662 |
| ORB.ENERGY,a.u. | -.032164 | ||
| NORM | 1.000003 | < R > | 19.856625 | < R2 > | 458.446176 | < 1/R > | .071343 | < 1/R**2 > | .009833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.474547 | .24705899 |
| 2 | 2p | 1.041306 | -.82940846 |
| 3 | 3p | 1.588671 | -.24600404 |
| 4 | 2p | 7.042963 | .10037839 |
| 5 | 3p | 9.757036 | -.00963106 |
| 6 | 4p | .966818 | .00406327 |
| 7 | 4p | 25.197274 | -.00033276 |
| 8 | 5p | 75.840360 | -.00000910 |
| 9 | 5p | 1.599264 | .00082199 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.477955 | < R2 > | 7.152251 | < 1/R > | .528341 | < 1/R**2 > | .614428 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.350179 | -.16177790 |
| 2 | 1s | 9.467012 | .18695378 |
| 3 | 1s | 21.612973 | .00222354 |
| 4 | 2s | 4.211920 | -.27203247 |
| 5 | 3s | 1.729063 | .86682452 |
| 6 | 4s | 3.096991 | .14488815 |
| 7 | 5s | 1.561987 | .08420620 |
| 8 | 4s | 45.349987 | -.00005969 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.094322 | < R2 > | 5.054185 | < 1/R > | .634024 | < 1/R**2 > | 2.224693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .847541 | .00012094 |
| 2 | 2p | 7.176931 | .48232933 |
| 3 | 3p | 5.436507 | .49328580 |
| 4 | 4p | 4.265953 | .12705465 |
| 5 | 5p | 2.749025 | .00337292 |
| 6 | 2p | 14.231959 | .00945138 |
| 7 | 5p | 31.547682 | -.00045745 |
| 8 | 4p | 45.417042 | -.00008183 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535251 | < R2 > | .359438 | < 1/R > | 2.456955 | < 1/R**2 > | 8.523810 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398883 | .35141880 |
| 2 | 2s | 4.934896 | -.77287161 |
| 3 | 3s | 4.398295 | -.16878938 |
| 4 | 4s | 21.973195 | .00177913 |
| 5 | 2s | 6.453940 | -.18123673 |
| 6 | 3s | 14.464274 | .01041254 |
| 7 | 4s | 3.416187 | -.00406356 |
| 8 | 4s | 61.722558 | -.00002055 |
| 9 | 5s | 1.700931 | -.00007950 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562535 | < R2 > | .376638 | < 1/R > | 2.592156 | < 1/R**2 > | 27.725674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577899 | 1.01499690 |
| 2 | 2s | 18.820608 | -.02466578 |
| 3 | 3s | 9.622451 | .02347121 |
| 4 | 4s | 48.624227 | -.00008124 |
| 5 | 4s | 27.354775 | .00097347 |
| 6 | 2s | 69.812290 | .00001918 |
| 7 | 5s | 11.890745 | -.00876333 |
| 8 | 3s | 2.583847 | .00063327 |
| 9 | 4s | 2.957970 | -.00051823 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581449 | < 1/R**2 > | 372.394600 |
Total Energy= -288.60674473 a.u.
Kinetic Energy= 288.60528670 a.u.
Potential Energy= -577.21203143 a.u.
Virial Ratio = -2.00000505