(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 4p | .517745 | .64398481 |
| 2 | 5p | .317583 | -1.13164254 |
| 3 | 3p | 1.079744 | -.11433554 |
| 4 | 2p | 7.538749 | .01192606 |
| 5 | 2p | 3.271439 | .04241905 |
| 6 | 5p | 9.862049 | .00130010 |
| 7 | 2p | 1.332631 | -.10088425 |
| 8 | 4p | 25.627189 | -.00007660 |
| 9 | 3p | .639570 | .11065944 |
| 10 | 4p | .229345 | -.05684226 |
| ORB.ENERGY,a.u. | -.040036 | ||
| NORM | 1.000001 | < R > | 18.111854 | < R2 > | 368.103157 | < 1/R > | .071775 | < 1/R**2 > | .016188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.475324 | .24679434 |
| 2 | 2p | 1.032907 | -.83895295 |
| 3 | 3p | 1.603405 | -.24388200 |
| 4 | 2p | 7.035646 | .10096889 |
| 5 | 3p | 9.723484 | -.00980215 |
| 6 | 4p | 1.066954 | .00410034 |
| 7 | 4p | 25.116867 | -.00034051 |
| 8 | 5p | 75.403895 | -.00000944 |
| 9 | 5p | 1.135933 | .01260638 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.470417 | < R2 > | 7.101265 | < 1/R > | .529648 | < 1/R**2 > | .617275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.385779 | -.16452778 |
| 2 | 1s | 9.435653 | .18952447 |
| 3 | 1s | 21.417608 | .00232918 |
| 4 | 2s | 4.196100 | -.27348618 |
| 5 | 3s | 1.738098 | .87026628 |
| 6 | 4s | 3.114437 | .13831218 |
| 7 | 5s | 1.579247 | .08859185 |
| 8 | 4s | 45.677512 | -.00005776 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093445 | < R2 > | 5.048537 | < 1/R > | .634167 | < 1/R**2 > | 2.225363 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177094 | .48228428 |
| 2 | 3p | 5.436503 | .49332939 |
| 3 | 4p | 4.265436 | .12707611 |
| 4 | 5p | 2.745127 | .00338511 |
| 5 | 2p | 14.231299 | .00945183 |
| 6 | 5p | 31.545729 | -.00045790 |
| 7 | 4p | 45.426855 | -.00008184 |
| 8 | 3p | .878047 | .00009759 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535274 | < R2 > | .359474 | < 1/R > | 2.456878 | < 1/R**2 > | 8.523353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398830 | .35141177 |
| 2 | 2s | 4.934782 | -.77287277 |
| 3 | 3s | 4.398097 | -.16879262 |
| 4 | 4s | 21.977711 | .00177957 |
| 5 | 2s | 6.454176 | -.18123573 |
| 6 | 3s | 14.461101 | .01041683 |
| 7 | 4s | 3.412127 | -.00407890 |
| 8 | 4s | 61.779080 | -.00002046 |
| 9 | 5s | 1.727416 | -.00007382 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562552 | < R2 > | .376663 | < 1/R > | 2.592086 | < 1/R**2 > | 27.724290 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577889 | 1.01499714 |
| 2 | 2s | 18.820820 | -.02466607 |
| 3 | 3s | 9.622137 | .02347227 |
| 4 | 4s | 48.603354 | -.00008122 |
| 5 | 4s | 27.353669 | .00097347 |
| 6 | 2s | 69.802139 | .00001920 |
| 7 | 5s | 11.890214 | -.00876386 |
| 8 | 3s | 2.583609 | .00063301 |
| 9 | 4s | 2.957822 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581435 | < 1/R**2 > | 372.394017 |
Total Energy= -288.61109669 a.u.
Kinetic Energy= 288.61314756 a.u.
Potential Energy= -577.22424425 a.u.
Virial Ratio = -1.99999289