(1s 2 2s 2 2p 5 4p 1 ) 1 S Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 1.211332 | .04527313 |
| 2 | 3p | .407415 | -.99417667 |
| 3 | 4p | .318867 | 1.67082996 |
| 4 | 5p | .960547 | -.07995239 |
| 5 | 5p | 8.077016 | -.00040238 |
| 6 | 4p | 2.313423 | .02252036 |
| 7 | 3p | .191638 | -.12002493 |
| 8 | 2p | 26.079839 | .00000584 |
| ORB.ENERGY,a.u. | -.043853 | ||
| NORM | 1.000002 | < R > | 15.553668 | < R2 > | 272.397990 | < 1/R > | .080781 | < 1/R**2 > | .009984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | .759067 | -.28293080 |
| 2 | 2p | 2.589365 | 1.45694590 |
| 3 | 3p | 3.261285 | -.53087014 |
| 4 | 2p | 7.552726 | .06660023 |
| 5 | 4p | 8.519904 | .01985174 |
| 6 | 5p | .474767 | .01903676 |
| 7 | 4p | .995004 | .13873329 |
| 8 | 3p | 1.450256 | .19566669 |
| 9 | 4p | 44.175673 | .00001493 |
| 10 | 3p | .188625 | -.02014650 |
| ORB.ENERGY,a.u. | -1.309000 | ||
| NORM | 1.000000 | < R > | .878110 | < R2 > | 1.066226 | < 1/R > | 1.537357 | < 1/R**2 > | 3.421533 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.402983 | .30212353 |
| 2 | 2s | 3.730225 | -.78585878 |
| 3 | 3s | 2.880545 | -.34084868 |
| 4 | 4s | 13.323639 | .01537549 |
| 5 | 3s | 23.423122 | .00199455 |
| 6 | 5s | 1.849061 | -.01730083 |
| 7 | 5s | 24.683898 | .00178205 |
| 8 | 4s | 1.503264 | .01982357 |
| 9 | 3s | 1.053955 | -.00393752 |
| 10 | 2s | 50.328629 | .00004397 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860456 | < R2 > | .890675 | < 1/R > | 1.685273 | < 1/R**2 > | 11.731828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241461 | .92191683 |
| 2 | 1s | 14.465200 | .08149847 |
| 3 | 2s | 5.553031 | .00857758 |
| 4 | 3s | 13.426393 | -.00702719 |
| 5 | 4s | 19.920195 | .00340945 |
| 6 | 5s | 31.500142 | -.00006523 |
| 7 | 5s | 3.661915 | .00023307 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157572 | < R2 > | .033436 | < 1/R > | 9.620008 | < 1/R**2 > | 187.252532 |
Total Energy= -127.86219502 a.u.
Kinetic Energy= 127.86147353 a.u.
Potential Energy= -255.72366855 a.u.
Virial Ratio = -2.00000564