(1s 2 2s 1 3s 1 ) 3 S Cl 13+
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 | 11.964772 | .27463810 |
| 2 | 2s | 5.403383 | -1.46129949 |
| 3 | 3s | 4.794323 | 2.02588927 |
| 4 | 4s | 8.718972 | -.11158517 |
| 5 | 5s | 15.117481 | -.01932618 |
| 6 | 4s | 29.700850 | .00190243 |
| 7 | 5s | 4.748110 | -.01163594 |
| 8 | 3s | 43.387929 | .00013262 |
| ORB.ENERGY,a.u. | -11.780000 | ||
| NORM | 1.000000 | < R > | .900142 | < R2 > | .917204 | < 1/R > | 1.620420 | < 1/R**2 > | 15.701436 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.988277 | .42963557 |
| 2 | 2s | 7.337512 | -.80436888 |
| 3 | 3s | 9.111492 | -.29815103 |
| 4 | 5s | 15.975152 | -.02362896 |
| 5 | 4s | 31.002454 | .00221962 |
| 6 | 5s | 11.856965 | -.00693373 |
| 7 | 3s | 46.305508 | .00011223 |
| 8 | 4s | 3.468987 | .00004744 |
| ORB.ENERGY,a.u. | -28.554000 | ||
| NORM | 1.000000 | < R > | .380941 | < R2 > | .169303 | < 1/R > | 3.884664 | < 1/R**2 > | 60.824222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.393536 | .93996043 |
| 2 | 1s | 25.997013 | .04726040 |
| 3 | 2s | 20.413515 | .01680764 |
| 4 | 3s | 11.187590 | .00147473 |
| 5 | 4s | 68.066494 | -.00042058 |
| 6 | 5s | 90.735700 | .00015311 |
| 7 | 5s | 20.419653 | .00028266 |
| 8 | 4s | 4.717259 | -.00026627 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090367 | < R2 > | .010927 | < 1/R > | 16.670384 | < 1/R**2 > | 558.781015 |
Total Energy= -319.78288567 a.u.
Kinetic Energy= 319.83537666 a.u.
Potential Energy= -639.61826233 a.u.
Virial Ratio = -1.99983588