(1s 2 2s 2 2p 5 3p 1 ) 1 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 3p | .629936 | -.44584741 |
| 2 | 2p | .333287 | -.66156063 |
| 3 | 2p | 3.937373 | .08666004 |
| 4 | 4p | 2.346072 | .04168906 |
| 5 | 5p | .430901 | .12361363 |
| 6 | 5p | 4.263011 | .02317732 |
| 7 | 3p | 6.814659 | -.00759339 |
| 8 | 4p | 19.619388 | -.00009085 |
| ORB.ENERGY,a.u. | -.106460 | ||
| NORM | 1.000001 | < R > | 6.217856 | < R2 > | 44.850466 | < 1/R > | .197006 | < 1/R**2 > | .070194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.851904 | .12580251 |
| 2 | 2p | 2.536666 | .58053546 |
| 3 | 2p | 4.452330 | .30892496 |
| 4 | 2p | 10.501801 | .01833075 |
| 5 | 4p | 2.157124 | .03221193 |
| 6 | 4p | 10.258612 | .01536900 |
| 7 | 3p | 1.350487 | -.00535633 |
| 8 | 3p | 13.204966 | .00381667 |
| 9 | 5p | .701985 | -.00132703 |
| ORB.ENERGY,a.u. | -1.176500 | ||
| NORM | 1.000000 | < R > | .875970 | < R2 > | .981938 | < 1/R > | 1.536560 | < 1/R**2 > | 3.418742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.404971 | .30197066 |
| 2 | 2s | 3.731161 | -.78521684 |
| 3 | 3s | 2.882601 | -.34109640 |
| 4 | 4s | 13.317694 | .01544478 |
| 5 | 3s | 23.467601 | .00201969 |
| 6 | 5s | 1.838241 | -.01636437 |
| 7 | 5s | 24.661984 | .00181568 |
| 8 | 4s | 1.478096 | .01931587 |
| 9 | 3s | 1.057758 | -.00492336 |
| 10 | 2s | 50.223359 | .00004564 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860634 | < R2 > | .891140 | < 1/R > | 1.685002 | < 1/R**2 > | 11.728518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241463 | .92189997 |
| 2 | 1s | 14.465080 | .08150655 |
| 3 | 2s | 5.556404 | .00859192 |
| 4 | 3s | 13.420726 | -.00702848 |
| 5 | 4s | 19.914789 | .00340546 |
| 6 | 5s | 31.571868 | -.00006397 |
| 7 | 5s | 3.676152 | .00023384 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157573 | < R2 > | .033437 | < 1/R > | 9.619979 | < 1/R**2 > | 187.251670 |
Total Energy= -127.92449154 a.u.
Kinetic Energy= 127.92425937 a.u.
Potential Energy= -255.84875091 a.u.
Virial Ratio = -2.00000181