(1s 2 2s 2 2p 4 4p 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 2.416687 | .09958300 |
| 2 | 3p | .606893 | -2.03874101 |
| 3 | 4p | .628288 | 2.62172764 |
| 4 | 5p | 1.554614 | -.10220586 |
| 5 | 2p | 6.492529 | .01113308 |
| 6 | 5p | 5.338951 | -.00847446 |
| 7 | 5p | .483429 | .07128395 |
| 8 | 3p | 13.262365 | -.00020303 |
| ORB.ENERGY,a.u. | -.168680 | ||
| NORM | 1.000000 | < R > | 8.550853 | < R2 > | 82.610387 | < 1/R > | .150917 | < 1/R**2 > | .048107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | .980844 | -.02710120 |
| 2 | 2p | 2.643494 | .68268323 |
| 3 | 2p | 4.510301 | .36769832 |
| 4 | 2p | 11.037484 | .01104571 |
| 5 | 3p | 1.852398 | .04008771 |
| 6 | 4p | 6.566227 | -.02851594 |
| 7 | 4p | .539618 | .01573045 |
| 8 | 5p | 23.130856 | -.00016581 |
| ORB.ENERGY,a.u. | -2.069600 | ||
| NORM | 1.000000 | < R > | .803937 | < R2 > | .822030 | < 1/R > | 1.640195 | < 1/R**2 > | 3.815384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.312753 | .31812110 |
| 2 | 2s | 3.737368 | -.82630277 |
| 3 | 3s | 3.007144 | -.30188632 |
| 4 | 4s | 12.797390 | .01217083 |
| 5 | 3s | 14.507949 | .00429977 |
| 6 | 5s | 26.722639 | .00032515 |
| 7 | 5s | 2.081711 | -.02708534 |
| 8 | 4s | 1.865954 | .03321550 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828584 | < R2 > | .819222 | < 1/R > | 1.745965 | < 1/R**2 > | 12.528294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241876 | .89834840 |
| 2 | 1s | 13.943710 | .09842733 |
| 3 | 1s | 14.225838 | .00055734 |
| 4 | 2s | 6.912720 | .01559989 |
| 5 | 3s | 10.793561 | -.00728592 |
| 6 | 4s | 18.614026 | .00284461 |
| 7 | 5s | 61.086282 | -.00003546 |
| 8 | 5s | 5.254646 | .00053103 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157458 | < R2 > | .033374 | < 1/R > | 9.624006 | < 1/R**2 > | 187.368585 |
Total Energy= -126.54458638 a.u.
Kinetic Energy= 126.53877889 a.u.
Potential Energy= -253.08336528 a.u.
Virial Ratio = -2.00004589