(1s 2 2s 1 3s 1 ) 3 S Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 7.609065 | .21146837 |
| 2 | 2s | 3.221788 | -.97712282 |
| 3 | 3s | 2.428392 | 1.62821306 |
| 4 | 4s | 4.742418 | -.11784093 |
| 5 | 5s | 8.437063 | -.02881835 |
| 6 | 4s | 16.621721 | .00341203 |
| 7 | 5s | 2.484093 | -.04464762 |
| 8 | 5s | 41.135563 | .00007265 |
| 9 | 2s | 55.667340 | -.00000886 |
| ORB.ENERGY,a.u. | -3.135900 | ||
| NORM | 1.000000 | < R > | 1.695146 | < R2 > | 3.245181 | < 1/R > | .840987 | < 1/R**2 > | 4.180992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.085351 | .40805084 |
| 2 | 2s | 4.165610 | -.87903366 |
| 3 | 3s | 4.969727 | -.26207441 |
| 4 | 4s | 12.070446 | .04672868 |
| 5 | 5s | 14.924187 | -.01386985 |
| 6 | 5s | 4.441303 | -.01232931 |
| 7 | 3s | 17.306151 | .00379310 |
| 8 | 5s | 17.122476 | .00164272 |
| ORB.ENERGY,a.u. | -8.143800 | ||
| NORM | 1.000000 | < R > | .687096 | < R2 > | .550911 | < 1/R > | 2.129856 | < 1/R**2 > | 18.338421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.161669 | .87620820 |
| 2 | 1s | 13.582524 | .12454023 |
| 3 | 2s | 7.061401 | .02562683 |
| 4 | 3s | 8.948979 | -.02651709 |
| 5 | 4s | 18.838340 | .00294732 |
| 6 | 5s | 12.378300 | .00121565 |
| 7 | 3s | 29.929493 | -.00013164 |
| 8 | 5s | 2.783667 | -.00032665 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156209 | < R2 > | .032731 | < 1/R > | 9.673181 | < 1/R**2 > | 188.858194 |
Total Energy= -105.73757909 a.u.
Kinetic Energy= 105.76379623 a.u.
Potential Energy= -211.50137532 a.u.
Virial Ratio = -1.99975212