(1s 2 2s 2 2p 2 3d 1 ) 2 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 2.664304 | 1.04826612 |
| 2 | 3d | 7.213759 | .01954713 |
| 3 | 4d | 3.117362 | -.05029193 |
| 4 | 5d | 23.984714 | -.00011293 |
| 5 | 5d | 2.731678 | -.00926759 |
| ORB.ENERGY,a.u. | -3.571600 | ||
| NORM | 1.000000 | < R > | 1.290805 | < R2 > | 1.913191 | < 1/R > | .911076 | < 1/R**2 > | 1.009843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.332552 | 1.17811353 |
| 2 | 3p | 6.320644 | -.19864633 |
| 3 | 2p | 13.875632 | .01796654 |
| 4 | 4p | 16.513498 | .00424810 |
| 5 | 5p | 26.593532 | -.00078001 |
| 6 | 5p | 3.464544 | -.00018608 |
| 7 | 4p | 82.099230 | .00000934 |
| ORB.ENERGY,a.u. | -11.748000 | ||
| NORM | 1.000000 | < R > | .445609 | < R2 > | .241457 | < 1/R > | 2.852192 | < 1/R**2 > | 11.080774 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.236169 | .39867504 |
| 2 | 2s | 5.916341 | -.84498602 |
| 3 | 3s | 6.083187 | -.27729049 |
| 4 | 4s | 22.803757 | .00236293 |
| 5 | 3s | 13.709462 | .01499101 |
| 6 | 5s | 5.902313 | -.03069378 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508204 | < R2 > | .303277 | < 1/R > | 2.876696 | < 1/R**2 > | 33.639104 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162257 | .92626578 |
| 2 | 1s | 20.401435 | .07282757 |
| 3 | 2s | 12.162892 | .01940378 |
| 4 | 3s | 15.602032 | -.01547466 |
| 5 | 5s | 32.793965 | .00104622 |
| 6 | 4s | 78.174952 | -.00004131 |
| 7 | 5s | 10.202795 | .00045500 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110788 | < R2 > | .016463 | < 1/R > | 13.630266 | < 1/R**2 > | 374.458492 |
Total Energy= -255.16333230 a.u.
Kinetic Energy= 255.03383792 a.u.
Potential Energy= -510.19717021 a.u.
Virial Ratio = -2.00050775