(1s 2 2s 2 2p 5 3p 1 ) 3 S Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | .705994 | -.35369431 |
| 2 | 2p | .362119 | -.76089412 |
| 3 | 2p | 4.138352 | .10587247 |
| 4 | 4p | 2.792367 | .04877292 |
| 5 | 5p | .467085 | .13461890 |
| 6 | 5p | 4.936780 | .02390905 |
| 7 | 3p | 8.396681 | -.00478512 |
| ORB.ENERGY,a.u. | -.114190 | ||
| NORM | 1.000000 | < R > | 5.758680 | < R2 > | 38.786893 | < 1/R > | .220375 | < 1/R**2 > | .102872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.732677 | .14172982 |
| 2 | 2p | 2.422452 | .52370439 |
| 3 | 2p | 4.234369 | .42955111 |
| 4 | 2p | 8.113461 | .02542000 |
| 5 | 3p | .569663 | .00373372 |
| 6 | 4p | 8.387643 | .02053223 |
| 7 | 3p | 5.846115 | -.07018863 |
| 8 | 3p | 33.496182 | .00002328 |
| ORB.ENERGY,a.u. | -1.184200 | ||
| NORM | 1.000000 | < R > | .878389 | < R2 > | .990355 | < 1/R > | 1.534635 | < 1/R**2 > | 3.412670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.403618 | .30205660 |
| 2 | 2s | 3.733896 | -.78422785 |
| 3 | 3s | 2.887716 | -.34133560 |
| 4 | 4s | 13.299101 | .01544294 |
| 5 | 3s | 23.288308 | .00205256 |
| 6 | 5s | 1.828511 | -.01493888 |
| 7 | 5s | 24.555322 | .00180673 |
| 8 | 4s | 1.448299 | .02076279 |
| 9 | 3s | 1.106125 | -.00867025 |
| 10 | 2s | 49.790168 | .00004622 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860658 | < R2 > | .891268 | < 1/R > | 1.685046 | < 1/R**2 > | 11.729397 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241853 | .92187533 |
| 2 | 1s | 14.463642 | .08150198 |
| 3 | 2s | 5.559630 | .00860372 |
| 4 | 3s | 13.437618 | -.00702986 |
| 5 | 4s | 19.921364 | .00343745 |
| 6 | 5s | 30.966617 | -.00007139 |
| 7 | 5s | 3.678480 | .00023380 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157572 | < R2 > | .033436 | < 1/R > | 9.619994 | < 1/R**2 > | 187.252099 |
Total Energy= -127.92312918 a.u.
Kinetic Energy= 127.93200641 a.u.
Potential Energy= -255.85513559 a.u.
Virial Ratio = -1.99993061