(1s 2 2s 2 2p 6 3d 1 ) 2 D Na 0
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 | .333947 | 1.01032047 |
| 2 | 4d | .395339 | -.01130146 |
| 3 | 3d | 1.362839 | .01211781 |
| 4 | 4d | 1.611787 | -.00652758 |
| 5 | 5d | 2.350539 | -.00148699 |
| 6 | 3d | 4.152563 | .00064841 |
| ORB.ENERGY,a.u. | -.055667 | ||
| NORM | 1.000000 | < R > | 10.459132 | < R2 > | 125.138902 | < 1/R > | .111777 | < 1/R**2 > | .015080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.842642 | .37034301 |
| 2 | 3p | 4.433430 | .48204581 |
| 3 | 4p | 3.107572 | .16763431 |
| 4 | 5p | 4.347196 | .06807947 |
| 5 | 2p | 12.874096 | .00529418 |
| 6 | 3p | 2.045213 | .07219833 |
| 7 | 5p | 26.363369 | -.00013400 |
| 8 | 4p | 1.780275 | -.00227809 |
| 9 | 2p | 120.237209 | -.00000012 |
| 10 | 5p | .665525 | .00003407 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .796270 | < R2 > | .815961 | < 1/R > | 1.699176 | < 1/R**2 > | 4.197366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.119173 | .31155539 |
| 2 | 2s | 4.295306 | -.73514471 |
| 3 | 3s | 3.378376 | -.37871974 |
| 4 | 4s | 13.340616 | .00763116 |
| 5 | 3s | 13.880363 | .00757811 |
| 6 | 4s | 2.773679 | -.02915145 |
| 7 | 5s | 42.699763 | -.00005687 |
| 8 | 2s | 14.116106 | .00023465 |
| 9 | 3s | 35.125849 | -.00009626 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779121 | < R2 > | .731442 | < 1/R > | 1.866963 | < 1/R**2 > | 14.446790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608170 | 1.01719271 |
| 2 | 2s | 14.003719 | -.03248611 |
| 3 | 3s | 8.618029 | .02560906 |
| 4 | 4s | 56.470044 | -.00002547 |
| 5 | 4s | 20.827808 | .00312032 |
| 6 | 5s | 10.608279 | -.00608886 |
| 7 | 4s | 4.644974 | .00070632 |
| 8 | 3s | 85.261514 | -.00000310 |
| 9 | 5s | 2.088820 | .00000922 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142860 | < R2 > | .027482 | < 1/R > | 10.607310 | < 1/R**2 > | 227.531754 |
Total Energy= -161.73347828 a.u.
Kinetic Energy= 161.73263026 a.u.
Potential Energy= -323.46610854 a.u.
Virial Ratio = -2.00000524