(1s 2 2s 2 2p 4 3s 1 ) 4 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 8.882263 | .07957178 |
| 2 | 2s | 2.896306 | -.30615014 |
| 3 | 3s | 1.204419 | 1.01746850 |
| 4 | 4s | 9.612081 | -.01823529 |
| 5 | 5s | 1.034917 | .13670934 |
| 6 | 5s | 7.755095 | -.02461355 |
| 7 | 4s | .801385 | -.08787233 |
| 8 | 3s | 50.892318 | .00009912 |
| 9 | 4s | 73.765051 | -.00004477 |
| 10 | 5s | .666350 | .01685932 |
| 11 | 3s | .439302 | -.00707665 |
| ORB.ENERGY,a.u. | -.495220 | ||
| NORM | 1.000000 | < R > | 3.100425 | < R2 > | 11.004206 | < 1/R > | .428835 | < 1/R**2 > | 1.038042 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.666530 | .67975716 |
| 2 | 2p | 4.551584 | .34228604 |
| 3 | 2p | 11.144327 | .01189742 |
| 4 | 3p | 1.830559 | .04289749 |
| 5 | 4p | 6.838864 | -.01924426 |
| 6 | 4p | 1.641451 | -.00888919 |
| 7 | 3p | 8.217272 | .00687803 |
| 8 | 5p | 22.177199 | -.00020083 |
| 9 | 3p | 1.068066 | .00211250 |
| ORB.ENERGY,a.u. | -1.858500 | ||
| NORM | 1.000000 | < R > | .809227 | < R2 > | .824474 | < 1/R > | 1.632721 | < 1/R**2 > | 3.788306 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.344860 | .31544732 |
| 2 | 2s | 3.735603 | -.82628084 |
| 3 | 3s | 3.002302 | -.29715631 |
| 4 | 4s | 12.407010 | .01204338 |
| 5 | 3s | 14.125573 | .00720888 |
| 6 | 5s | 3.214368 | .00624831 |
| 7 | 4s | 1.555010 | -.01009281 |
| 8 | 2s | 34.528761 | .00007363 |
| 9 | 3s | .867837 | -.00285780 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .833180 | < R2 > | .832412 | < 1/R > | 1.740347 | < 1/R**2 > | 12.465202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.240869 | .89870323 |
| 2 | 1s | 13.994692 | .09821822 |
| 3 | 1s | 2.678500 | .00179864 |
| 4 | 2s | 7.304318 | .01513843 |
| 5 | 3s | 11.126118 | -.00838409 |
| 6 | 4s | 18.624665 | .00314655 |
| 7 | 5s | 63.815484 | -.00002493 |
| 8 | 5s | 1.667786 | .00031721 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157445 | < R2 > | .033367 | < 1/R > | 9.624461 | < 1/R**2 > | 187.380980 |
Total Energy= -126.85847797 a.u.
Kinetic Energy= 126.86687087 a.u.
Potential Energy= -253.72534885 a.u.
Virial Ratio = -1.99993384