(1s 2 2s 2 2p 5 3p 1 ) 1 S Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | .626083 | -.90031623 |
| 2 | 2p | 1.615676 | .10951585 |
| 3 | 2p | 5.646989 | .02009991 |
| 4 | 4p | .444977 | -.55009123 |
| 5 | 4p | 5.339789 | .00991429 |
| 6 | 5p | .449640 | .51457548 |
| 7 | 5p | 10.940918 | .00097943 |
| 8 | 4p | .306330 | .03372776 |
| ORB.ENERGY,a.u. | -.086525 | ||
| NORM | 1.000001 | < R > | 5.826655 | < R2 > | 39.017339 | < 1/R > | .201155 | < 1/R**2 > | .061555 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.069878 | 1.57517342 |
| 2 | 3p | 4.222149 | -.77272042 |
| 3 | 4p | 5.424291 | .14138076 |
| 4 | 5p | 2.742442 | .10459308 |
| 5 | 4p | 14.071536 | -.00315152 |
| 6 | 4p | .452441 | .01358019 |
| 7 | 3p | 15.998285 | -.00119192 |
| 8 | 5p | .373932 | .00238336 |
| ORB.ENERGY,a.u. | -1.156500 | ||
| NORM | 1.000000 | < R > | .877746 | < R2 > | 1.010726 | < 1/R > | 1.536875 | < 1/R**2 > | 3.420019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.347827 | .30508046 |
| 2 | 2s | 3.737938 | -.78478093 |
| 3 | 3s | 2.873892 | -.34606034 |
| 4 | 4s | 13.247906 | .01361009 |
| 5 | 3s | 19.777962 | .00180592 |
| 6 | 5s | 1.953883 | -.03023130 |
| 7 | 5s | 24.642147 | .00090964 |
| 8 | 4s | 1.659111 | .03322836 |
| 9 | 3s | 1.021491 | -.00207951 |
| 10 | 2s | 71.158596 | .00000394 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860565 | < R2 > | .890908 | < 1/R > | 1.685051 | < 1/R**2 > | 11.728807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241476 | .92193153 |
| 2 | 1s | 14.465839 | .08148516 |
| 3 | 2s | 5.554233 | .00858330 |
| 4 | 3s | 13.419836 | -.00703203 |
| 5 | 4s | 19.913039 | .00340417 |
| 6 | 5s | 31.595404 | -.00006328 |
| 7 | 5s | 3.671381 | .00023303 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157572 | < R2 > | .033436 | < 1/R > | 9.620017 | < 1/R**2 > | 187.252892 |
Total Energy= -127.91770110 a.u.
Kinetic Energy= 127.93497309 a.u.
Potential Energy= -255.85267419 a.u.
Virial Ratio = -1.99986499