(1s 2 2s 2 2p 5 4p 1 ) 3 S Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | .346481 | -.10580855 |
| 2 | 2p | 3.094691 | .07379341 |
| 3 | 3p | .605209 | -.50309009 |
| 4 | 4p | .343328 | 1.18531962 |
| 5 | 5p | 1.610051 | -.03780349 |
| 6 | 2p | 8.022842 | .00417058 |
| 7 | 5p | 6.057767 | -.00668558 |
| 8 | 5p | .179096 | .00104548 |
| ORB.ENERGY,a.u. | -.051551 | ||
| NORM | 1.000001 | < R > | 13.687288 | < R2 > | 213.577469 | < 1/R > | .099990 | < 1/R**2 > | .030742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.688297 | .63514427 |
| 2 | 2p | 1.727652 | .11555311 |
| 3 | 2p | 4.525507 | .24712427 |
| 4 | 2p | 8.453294 | .03498264 |
| 5 | 4p | 2.621394 | .06674555 |
| 6 | 4p | 9.057052 | .01215158 |
| 7 | 3p | 2.848280 | -.02906882 |
| 8 | 5p | .428045 | -.00242954 |
| 9 | 5p | 51.570494 | .00001640 |
| 10 | 4p | .525416 | .00101617 |
| ORB.ENERGY,a.u. | -1.316700 | ||
| NORM | 1.000000 | < R > | .876572 | < R2 > | .984676 | < 1/R > | 1.536262 | < 1/R**2 > | 3.418070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.399630 | .30233448 |
| 2 | 2s | 3.733097 | -.78492038 |
| 3 | 3s | 2.885163 | -.34132759 |
| 4 | 4s | 13.312955 | .01532522 |
| 5 | 3s | 23.424425 | .00195960 |
| 6 | 5s | 1.849635 | -.01595155 |
| 7 | 5s | 24.684332 | .00177858 |
| 8 | 4s | 1.491231 | .01994979 |
| 9 | 3s | 1.117267 | -.00601234 |
| 10 | 2s | 51.015561 | .00004104 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860404 | < R2 > | .890602 | < 1/R > | 1.685421 | < 1/R**2 > | 11.733964 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241459 | .92193378 |
| 2 | 1s | 14.465719 | .08148676 |
| 3 | 2s | 5.553467 | .00857332 |
| 4 | 3s | 13.423440 | -.00702982 |
| 5 | 4s | 19.917498 | .00340677 |
| 6 | 5s | 31.558186 | -.00006425 |
| 7 | 5s | 3.661745 | .00023335 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620032 | < 1/R**2 > | 187.253230 |
Total Energy= -127.86692210 a.u.
Kinetic Energy= 127.86936338 a.u.
Potential Energy= -255.73628548 a.u.
Virial Ratio = -1.99998091