(1s 2 2s 2 2p 2 4d 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 5.210714 | .05818247 |
| 2 | 3d | 2.423108 | 1.17064577 |
| 3 | 4d | 2.004656 | -1.69793143 |
| 4 | 5d | 7.777738 | -.01027987 |
| 5 | 4d | 19.977780 | .00006644 |
| 6 | 5d | 1.733349 | .01211724 |
| 7 | 3d | 21.328536 | .00007362 |
| ORB.ENERGY,a.u. | -2.075500 | ||
| NORM | .999999 | < R > | 2.511710 | < R2 > | 7.233584 | < 1/R > | .530794 | < 1/R**2 > | .469102 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.301472 | 1.17836952 |
| 2 | 3p | 6.293283 | -.20038245 |
| 3 | 2p | 13.744403 | .01957708 |
| 4 | 4p | 15.998275 | .00644760 |
| 5 | 5p | 23.852363 | -.00111683 |
| 6 | 5p | 6.099371 | -.00193041 |
| 7 | 4p | 63.590804 | .00002640 |
| 8 | 3p | 1.286936 | -.00010344 |
| ORB.ENERGY,a.u. | -12.360000 | ||
| NORM | 1.000000 | < R > | .446876 | < R2 > | .242915 | < 1/R > | 2.845308 | < 1/R**2 > | 11.032823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234488 | .39951796 |
| 2 | 2s | 5.921698 | -.84519764 |
| 3 | 3s | 6.108049 | -.27717687 |
| 4 | 4s | 22.795801 | .00235825 |
| 5 | 3s | 13.690386 | .01521510 |
| 6 | 5s | 6.087293 | -.03002885 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507079 | < R2 > | .301727 | < 1/R > | 2.882399 | < 1/R**2 > | 33.757999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626414 |
| 2 | 1s | 20.401575 | .07282606 |
| 3 | 2s | 12.170728 | .01939924 |
| 4 | 3s | 15.600851 | -.01547489 |
| 5 | 5s | 32.800208 | .00104613 |
| 6 | 4s | 78.181306 | -.00004148 |
| 7 | 5s | 10.222687 | .00045390 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016462 | < 1/R > | 13.630474 | < 1/R**2 > | 374.467223 |
Total Energy= -253.53357834 a.u.
Kinetic Energy= 253.53785676 a.u.
Potential Energy= -507.07143510 a.u.
Virial Ratio = -1.99998313