(1s 2 2s 2 2p 2 4p 1 ) 4 S Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 6.362745 | .21471042 |
| 2 | 3p | 1.789642 | -.52701245 |
| 3 | 5p | 2.306962 | 1.47834299 |
| 4 | 4p | 3.434303 | -.70716049 |
| 5 | 5p | 8.026569 | .03160223 |
| 6 | 4p | 18.541309 | -.00293359 |
| 7 | 5p | 1.970720 | .18740706 |
| 8 | 5p | 43.254671 | -.00027687 |
| 9 | 4p | 68.224588 | -.00004935 |
| ORB.ENERGY,a.u. | -2.225200 | ||
| NORM | 1.000000 | < R > | 2.591037 | < R2 > | 7.579426 | < 1/R > | .524656 | < 1/R**2 > | .694238 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.566110 | 1.23688855 |
| 2 | 3p | 7.446247 | -.25335468 |
| 3 | 5p | 2.414861 | .07571165 |
| 4 | 4p | 2.306425 | -.06036366 |
| 5 | 5p | 11.364140 | .01928263 |
| 6 | 4p | 23.398670 | -.00319334 |
| 7 | 5p | 49.722413 | -.00008520 |
| 8 | 3p | 1.429678 | .00436751 |
| 9 | 3p | 36.495070 | -.00026592 |
| ORB.ENERGY,a.u. | -12.354000 | ||
| NORM | 1.000000 | < R > | .445018 | < R2 > | .244309 | < 1/R > | 2.859304 | < 1/R**2 > | 11.123234 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.208606 | .40082741 |
| 2 | 2s | 5.941947 | -.84515081 |
| 3 | 3s | 6.154925 | -.27704890 |
| 4 | 4s | 23.533101 | .00229719 |
| 5 | 3s | 13.062290 | .01829399 |
| 6 | 5s | 6.155939 | -.03547813 |
| 7 | 4s | 1.674139 | .00013529 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507150 | < R2 > | .301797 | < 1/R > | 2.881880 | < 1/R**2 > | 33.747444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161132 | .92629860 |
| 2 | 1s | 20.405506 | .07280763 |
| 3 | 2s | 12.136279 | .01942095 |
| 4 | 3s | 15.608078 | -.01547326 |
| 5 | 5s | 32.779714 | .00104557 |
| 6 | 4s | 78.148774 | -.00003984 |
| 7 | 5s | 10.474264 | .00043126 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110802 | < R2 > | .016468 | < 1/R > | 13.629115 | < 1/R**2 > | 374.408042 |
Total Energy= -253.69542295 a.u.
Kinetic Energy= 253.68645996 a.u.
Potential Energy= -507.38188291 a.u.
Virial Ratio = -2.00003533