(1s 2 2s 2 2p 1 5p 1 ) 3 D N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 2.041102 | .12016301 |
| 2 | 3p | .718887 | -1.00811805 |
| 3 | 4p | .493157 | 3.18255566 |
| 4 | 5p | .447422 | -2.94503060 |
| 5 | 2p | 4.115105 | .01804991 |
| 6 | 5p | 2.227663 | .02311598 |
| 7 | 3p | 6.854107 | -.00206945 |
| ORB.ENERGY,a.u. | -.097518 | ||
| NORM | 1.000004 | < R > | 14.955452 | < R2 > | 251.335491 | < 1/R > | .093797 | < 1/R**2 > | .031439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.071508 | .82387526 |
| 2 | 2p | 3.526359 | .17582611 |
| 3 | 2p | 7.772896 | .01013001 |
| 4 | 3p | 3.216094 | .00739678 |
| 5 | 4p | 1.951703 | .01952252 |
| 6 | 4p | 12.301435 | -.00065124 |
| ORB.ENERGY,a.u. | -1.610100 | ||
| NORM | 1.000000 | < R > | 1.120213 | < R2 > | 1.543420 | < 1/R > | 1.151549 | < 1/R**2 > | 1.843024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.428424 | .26748245 |
| 2 | 2s | 1.999358 | -.76160473 |
| 3 | 3s | 3.459171 | -.27614401 |
| 4 | 4s | 13.240678 | .00220888 |
| 5 | 5s | 7.046117 | -.02378496 |
| 6 | 5s | 2.288790 | .03158861 |
| 7 | 4s | 29.736403 | .00002970 |
| 8 | 4s | 1.955826 | -.00857504 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179752 | < R2 > | 1.645439 | < 1/R > | 1.210499 | < 1/R**2 > | 5.921274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.273689 | .00615243 |
| 2 | 1s | 6.254464 | .70934276 |
| 3 | 1s | 9.330484 | .22654779 |
| 4 | 2s | 7.137106 | .08427591 |
| 5 | 3s | 7.707254 | -.01452350 |
| 6 | 4s | 12.806019 | .00523228 |
| 7 | 5s | 22.169664 | .00018065 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227676 | < R2 > | .069775 | < 1/R > | 6.663777 | < 1/R**2 > | 90.053544 |
Total Energy= -52.91163585 a.u.
Kinetic Energy= 52.91331007 a.u.
Potential Energy= -105.82494592 a.u.
Virial Ratio = -1.99996836