(1s 2 2s 2 2p 4 4p 1 ) 4 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 3.277769 | .12763110 |
| 2 | 3p | .694545 | -1.53948025 |
| 3 | 4p | .696265 | 1.78721611 |
| 4 | 5p | 1.834324 | -.08277456 |
| 5 | 2p | 8.394106 | .00604442 |
| 6 | 5p | 6.420565 | -.01002087 |
| 7 | 5p | .620096 | .39831200 |
| ORB.ENERGY,a.u. | -.176550 | ||
| NORM | 1.000002 | < R > | 8.078608 | < R2 > | 73.932008 | < 1/R > | .168823 | < 1/R**2 > | .084737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.642874 | .67439736 |
| 2 | 2p | 4.503763 | .37022746 |
| 3 | 2p | 11.041239 | .01100509 |
| 4 | 3p | 1.830176 | .03422495 |
| 5 | 4p | 6.595437 | -.02824352 |
| 6 | 4p | 1.798733 | -.00985467 |
| 7 | 5p | 23.237547 | -.00017276 |
| 8 | 5p | .585254 | -.00039361 |
| ORB.ENERGY,a.u. | -2.077500 | ||
| NORM | 1.000000 | < R > | .805180 | < R2 > | .814024 | < 1/R > | 1.637830 | < 1/R**2 > | 3.807435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313639 | .31805294 |
| 2 | 2s | 3.744100 | -.82263332 |
| 3 | 3s | 3.022551 | -.30578248 |
| 4 | 4s | 13.011934 | .01352819 |
| 5 | 3s | 16.438798 | .00289515 |
| 6 | 5s | 25.749616 | .00047995 |
| 7 | 5s | 2.025380 | -.01196266 |
| 8 | 3s | 1.570352 | .01748723 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828687 | < R2 > | .819501 | < 1/R > | 1.745838 | < 1/R**2 > | 12.526879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241270 | .89816773 |
| 2 | 1s | 13.942008 | .09916958 |
| 3 | 1s | 4.793390 | -.00002284 |
| 4 | 2s | 6.922410 | .01559689 |
| 5 | 3s | 10.799145 | -.00726038 |
| 6 | 4s | 18.643732 | .00283255 |
| 7 | 5s | 60.577729 | -.00003559 |
| 8 | 5s | 5.304788 | .00054256 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157459 | < R2 > | .033374 | < 1/R > | 9.624000 | < 1/R**2 > | 187.368430 |
Total Energy= -126.54684360 a.u.
Kinetic Energy= 126.54864532 a.u.
Potential Energy= -253.09548893 a.u.
Virial Ratio = -1.99998576