(1s 2 2s 1 4s 1 ) 1 S Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 7.339846 | .08572443 |
| 2 | 2s | 1.968530 | -1.44063021 |
| 3 | 3s | 1.936233 | 4.11507913 |
| 4 | 4s | 1.837731 | -3.40723244 |
| 5 | 5s | 3.077008 | .21574917 |
| 6 | 4s | 5.335909 | -.07514240 |
| 7 | 5s | 20.825129 | .00121822 |
| 8 | 4s | 30.982118 | .00018469 |
| ORB.ENERGY,a.u. | -1.678500 | ||
| NORM | .999999 | < R > | 3.131368 | < R2 > | 10.968852 | < 1/R > | .409910 | < 1/R**2 > | .730730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.612009 | .32229359 |
| 2 | 2s | 2.408521 | -.75762728 |
| 3 | 3s | 5.557280 | -.64126001 |
| 4 | 4s | 3.142606 | .46555323 |
| 5 | 5s | 1.841135 | -.18110612 |
| 6 | 5s | 12.185156 | -.00978867 |
| 7 | 4s | 48.921186 | -.00000586 |
| 8 | 3s | 1.288450 | .07104306 |
| 9 | 2s | 31.821175 | .00006317 |
| 10 | 4s | .976958 | -.00282978 |
| ORB.ENERGY,a.u. | -8.370100 | ||
| NORM | 1.000000 | < R > | .693469 | < R2 > | .630101 | < 1/R > | 2.175315 | < 1/R**2 > | 19.151194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.202522 | .86122644 |
| 2 | 1s | 13.168230 | .13597393 |
| 3 | 2s | 5.800852 | .03028504 |
| 4 | 3s | 6.858062 | -.03310648 |
| 5 | 4s | 18.959776 | .00332951 |
| 6 | 5s | 8.693070 | .00705811 |
| 7 | 4s | 1.721476 | -.00204327 |
| 8 | 3s | 1.524608 | .00195864 |
| 9 | 3s | 35.397907 | -.00005010 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156141 | < R2 > | .032698 | < 1/R > | 9.675873 | < 1/R**2 > | 188.941190 |
Total Energy= -104.31945490 a.u.
Kinetic Energy= 104.30826226 a.u.
Potential Energy= -208.62771715 a.u.
Virial Ratio = -2.00010730