(1s 1 2s 1 ) 1 S Na 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 3.368797 | .67424469 |
| 2 | 2s | 4.551792 | -1.24614057 |
| 3 | 3s | 6.766662 | -.37185417 |
| 4 | 4s | 18.579994 | -.00207198 |
| 5 | 5s | 14.265608 | -.01133189 |
| 6 | 5s | 3.934660 | -.00720770 |
| 7 | 3s | 28.392636 | -.00030478 |
| ORB.ENERGY,a.u. | -13.168000 | ||
| NORM | 1.000000 | < R > | .577773 | < R2 > | .381649 | < 1/R > | 2.046823 | < 1/R**2 > | 6.960361 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.165876 | 1.02208793 |
| 2 | 2s | 12.438110 | .02002495 |
| 3 | 3s | 6.177543 | -.21965932 |
| 4 | 4s | 24.145877 | .00054515 |
| 5 | 5s | 8.530574 | .02422227 |
| 6 | 4s | 4.944106 | -.00842554 |
| 7 | 3s | 42.897933 | .00002948 |
| ORB.ENERGY,a.u. | -58.543000 |
| NORM | 1.000000 | < R > | .134594 | < R2 > | .029524 | < 1/R > | 11.509248 | < 1/R**2 > | 261.089910 |
Total Energy= -73.58864105 a.u.
Kinetic Energy= 73.54625040 a.u.
Potential Energy= -147.13489145 a.u.
Virial Ratio = -2.00057638