(1s 2 2s 2 2p 1 5p 1 ) 3 S Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 2p | 4.245536 | .34865847 |
| 2 | 3p | 2.145236 | -3.18300587 |
| 3 | 4p | 1.876213 | 8.74978822 |
| 4 | 5p | 1.871431 | -6.48248449 |
| 5 | 2p | 9.238257 | .03044292 |
| 6 | 5p | 15.885714 | .00292213 |
| 7 | 5p | 3.553492 | -.09260170 |
| 8 | 4p | 45.958589 | -.00002206 |
| ORB.ENERGY,a.u. | -1.730300 | ||
| NORM | 1.000000 | < R > | 3.799078 | < R2 > | 16.229441 | < 1/R > | .379981 | < 1/R**2 > | .505152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.666327 | 1.10020595 |
| 2 | 3p | 7.185617 | -.12812143 |
| 3 | 2p | 13.240412 | .01598140 |
| 4 | 5p | 11.747668 | .01074338 |
| 5 | 4p | 39.089982 | -.00006075 |
| 6 | 5p | 17.654299 | .00492263 |
| 7 | 5p | 5.501586 | .00126485 |
| ORB.ENERGY,a.u. | -14.384000 | ||
| NORM | 1.000000 | < R > | .430848 | < R2 > | .224866 | < 1/R > | 2.936716 | < 1/R**2 > | 11.686249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.153301 | .36486279 |
| 2 | 2s | 5.186818 | -.80622007 |
| 3 | 3s | 7.627837 | -.28123664 |
| 4 | 4s | 26.234985 | .00144894 |
| 5 | 5s | 14.795932 | -.01141923 |
| 6 | 5s | 5.784639 | .01986160 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494284 | < R2 > | .285978 | < 1/R > | 2.961640 | < 1/R**2 > | 35.493901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162211 | .92573716 |
| 2 | 1s | 20.229434 | .07470320 |
| 3 | 2s | 11.717561 | .01892541 |
| 4 | 3s | 14.613266 | -.01690854 |
| 5 | 4s | 69.087882 | -.00006967 |
| 6 | 5s | 32.285468 | .00079563 |
| 7 | 4s | 3.834278 | .00001766 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110555 | < R2 > | .016379 | < 1/R > | 13.648564 | < 1/R**2 > | 375.237582 |
Total Energy= -240.28627401 a.u.
Kinetic Energy= 240.28694307 a.u.
Potential Energy= -480.57321708 a.u.
Virial Ratio = -1.99999722