(1s 2 2s 2 2p 2 3d 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 2.791381 | 1.11080844 |
| 2 | 3d | 6.641453 | .02990266 |
| 3 | 4d | 3.324371 | -.12876022 |
| 4 | 5d | 19.805206 | -.00015522 |
| 5 | 4d | 47.815707 | .00000549 |
| ORB.ENERGY,a.u. | -3.729700 | ||
| NORM | 1.000000 | < R > | 1.223014 | < R2 > | 1.725586 | < 1/R > | .966905 | < 1/R**2 > | 1.144147 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.266008 | 1.18084579 |
| 2 | 3p | 6.202576 | -.20839599 |
| 3 | 2p | 13.101118 | .02344900 |
| 4 | 5p | 30.301436 | -.00029337 |
| 5 | 5p | 4.075702 | .00100870 |
| 6 | 4p | 14.357638 | .00552658 |
| ORB.ENERGY,a.u. | -11.906000 | ||
| NORM | 1.000000 | < R > | .448306 | < R2 > | .244738 | < 1/R > | 2.838828 | < 1/R**2 > | 10.990898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.231023 | .39876939 |
| 2 | 2s | 5.920221 | -.84486988 |
| 3 | 3s | 6.071011 | -.27741596 |
| 4 | 4s | 22.693289 | .00237339 |
| 5 | 3s | 13.768108 | .01488483 |
| 6 | 5s | 5.900707 | -.03112840 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508445 | < R2 > | .303603 | < 1/R > | 2.875400 | < 1/R**2 > | 33.610686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162578 | .92626452 |
| 2 | 1s | 20.401832 | .07282428 |
| 3 | 2s | 12.177662 | .01939387 |
| 4 | 3s | 15.601800 | -.01547435 |
| 5 | 5s | 32.819432 | .00104556 |
| 6 | 4s | 78.102943 | -.00004126 |
| 7 | 5s | 10.174039 | .00046268 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110783 | < R2 > | .016462 | < 1/R > | 13.630687 | < 1/R**2 > | 374.476906 |
Total Energy= -255.17529188 a.u.
Kinetic Energy= 255.19227172 a.u.
Potential Energy= -510.36756359 a.u.
Virial Ratio = -1.99993346