(1s 2 2s 2 2p 4 4p 1 ) 4 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 3.356037 | .13344142 |
| 2 | 3p | .740529 | -1.33119536 |
| 3 | 4p | .719679 | 1.50032330 |
| 4 | 5p | .634987 | .46951493 |
| 5 | 5p | 1.917802 | -.07937967 |
| 6 | 2p | 8.704211 | .00541429 |
| 7 | 5p | 6.592065 | -.00889336 |
| ORB.ENERGY,a.u. | -.179820 | ||
| NORM | 1.000002 | < R > | 7.935321 | < R2 > | 71.348215 | < 1/R > | .173237 | < 1/R**2 > | .092540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.638821 | .67301539 |
| 2 | 2p | 4.508458 | .37184711 |
| 3 | 2p | 11.138433 | .01058843 |
| 4 | 3p | 1.829332 | .03469113 |
| 5 | 4p | 6.655124 | -.02790042 |
| 6 | 4p | 1.856501 | -.00987372 |
| 7 | 5p | .659897 | -.00183298 |
| 8 | 5p | 22.675646 | -.00018047 |
| ORB.ENERGY,a.u. | -2.080700 | ||
| NORM | 1.000000 | < R > | .805637 | < R2 > | .815365 | < 1/R > | 1.637302 | < 1/R**2 > | 3.805546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313698 | .31804756 |
| 2 | 2s | 3.744164 | -.82257040 |
| 3 | 3s | 3.024467 | -.30507954 |
| 4 | 4s | 13.012654 | .01353585 |
| 5 | 3s | 16.459134 | .00288453 |
| 6 | 5s | 25.728497 | .00048386 |
| 7 | 5s | 2.002709 | -.01131753 |
| 8 | 3s | 1.541934 | .01613529 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828703 | < R2 > | .819547 | < 1/R > | 1.745821 | < 1/R**2 > | 12.526720 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241863 | .89834100 |
| 2 | 1s | 13.943206 | .09845614 |
| 3 | 1s | 14.308730 | .00053467 |
| 4 | 2s | 6.913630 | .01560071 |
| 5 | 3s | 10.794662 | -.00728557 |
| 6 | 4s | 18.613436 | .00284457 |
| 7 | 5s | 61.089602 | -.00003546 |
| 8 | 5s | 5.256711 | .00052922 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157458 | < R2 > | .033374 | < 1/R > | 9.624003 | < 1/R**2 > | 187.368526 |
Total Energy= -126.54649075 a.u.
Kinetic Energy= 126.55192733 a.u.
Potential Energy= -253.09841808 a.u.
Virial Ratio = -1.99995704