(1s 2 2s 2 2p 1 5p 1 ) 1 S Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 2p | 4.061538 | .11008625 |
| 2 | 3p | 1.304593 | -2.14955661 |
| 3 | 4p | 1.124536 | 5.48837037 |
| 4 | 5p | 1.037778 | -3.97680423 |
| 5 | 2p | 16.300330 | .00015238 |
| 6 | 4p | 3.860566 | .11746051 |
| 7 | 5p | 2.005501 | -.21461066 |
| ORB.ENERGY,a.u. | 1.000000 | ||
| NORM | .999993 | < R > | 6.705673 | < R2 > | 50.525271 | < 1/R > | .199370 | < 1/R**2 > | .093901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .489176 | -.18294571 |
| 2 | 2p | 3.496440 | .94149286 |
| 3 | 3p | .975513 | -.15106421 |
| 4 | 2p | 7.438561 | .09082430 |
| 5 | 5p | 4.619554 | -.03730834 |
| 6 | 5p | 1.451441 | .23373499 |
| 7 | 4p | 8.432241 | .03039266 |
| 8 | 3p | 37.863676 | .00006527 |
| 9 | 5p | .605564 | .10190176 |
| 10 | 4p | 64.000539 | -.00001878 |
| 11 | 4p | .213698 | .00035327 |
| ORB.ENERGY,a.u. | -5.118500 | ||
| NORM | 1.000000 | < R > | .670898 | < R2 > | .669393 | < 1/R > | 1.939438 | < 1/R**2 > | 5.134815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.892881 | .32355390 |
| 2 | 2s | 3.360966 | -.79307812 |
| 3 | 3s | 5.249651 | -.27197681 |
| 4 | 4s | 18.138669 | .00236756 |
| 5 | 5s | 10.317047 | -.01502993 |
| 6 | 5s | 3.790856 | .02240470 |
| 7 | 4s | 37.838769 | .00004217 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738947 | < R2 > | .640984 | < 1/R > | 1.960984 | < 1/R**2 > | 15.583089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.787396 | .00034093 |
| 2 | 1s | 9.270984 | .89169652 |
| 3 | 1s | 13.710849 | .10447504 |
| 4 | 2s | 7.452815 | .01493007 |
| 5 | 3s | 10.883426 | -.00733159 |
| 6 | 4s | 18.678589 | .00417783 |
| 7 | 5s | 10.268675 | -.00188188 |
| 8 | 5s | 37.056140 | .00007816 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156640 | < R2 > | .032942 | < 1/R > | 9.654795 | < 1/R**2 > | 188.283345 |
Total Energy= -116.46617415 a.u.
Kinetic Energy= 116.45383264 a.u.
Potential Energy= -232.92000679 a.u.
Virial Ratio = -2.00010598