(1s 2 2s 2 2p 1 3s 1 ) 1 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 8.351975 | .13785079 |
| 2 | 2s | 2.713009 | -.78085055 |
| 3 | 3s | 1.983223 | 1.41069719 |
| 4 | 4s | 6.430459 | -.03194795 |
| 5 | 5s | 11.337398 | -.00801374 |
| 6 | 5s | 1.935585 | .00730638 |
| 7 | 3s | 35.937490 | -.00002925 |
| ORB.ENERGY,a.u. | -1.867800 | ||
| NORM | 1.000000 | < R > | 2.051820 | < R2 > | 4.730469 | < 1/R > | .659679 | < 1/R**2 > | 2.450797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.563906 | .89578656 |
| 2 | 2p | 6.100660 | .11595954 |
| 3 | 2p | 12.786602 | .00420844 |
| 4 | 3p | .991163 | -.00417237 |
| 5 | 4p | 5.387291 | .00158710 |
| 6 | 4p | 17.159435 | -.00077673 |
| 7 | 5p | 1.310171 | .00309928 |
| 8 | 3p | 2.391981 | .00436354 |
| ORB.ENERGY,a.u. | -5.182100 | ||
| NORM | 1.000000 | < R > | .665739 | < R2 > | .539434 | < 1/R > | 1.913420 | < 1/R**2 > | 5.007981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.855146 | .32729667 |
| 2 | 2s | 3.411710 | -.79281028 |
| 3 | 3s | 5.216213 | -.27437619 |
| 4 | 4s | 17.266101 | .00329294 |
| 5 | 5s | 10.308897 | -.01232240 |
| 6 | 5s | 3.561603 | .01440602 |
| 7 | 4s | 33.402768 | .00010885 |
| 8 | 4s | 2.118997 | .01030261 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .734174 | < R2 > | .631016 | < 1/R > | 1.971599 | < 1/R**2 > | 15.733709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.960850 | .00009690 |
| 2 | 1s | 9.270873 | .89124310 |
| 3 | 1s | 13.706370 | .10474394 |
| 4 | 2s | 7.407616 | .01522824 |
| 5 | 3s | 9.543718 | -.00812407 |
| 6 | 4s | 17.997549 | .00346983 |
| 7 | 5s | 2.628721 | -.00090660 |
| 8 | 5s | 29.994801 | .00031051 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156680 | < R2 > | .032966 | < 1/R > | 9.653260 | < 1/R**2 > | 188.235471 |
Total Energy= -117.79940898 a.u.
Kinetic Energy= 117.77688394 a.u.
Potential Energy= -235.57629293 a.u.
Virial Ratio = -2.00019125