(1s 2 2s 2 ) 3 S N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 5.763287 | .33576634 |
| 2 | 2s | 2.651537 | -.86926694 |
| 3 | 3s | 2.661943 | -.24149083 |
| 4 | 4s | 10.770149 | .01151868 |
| 5 | 4s | 7.523181 | .02889666 |
| 6 | 5s | 2.653520 | -.01718612 |
| 7 | 5s | 25.908273 | .00005223 |
| 8 | 3s | 11.774221 | .00482702 |
| ORB.ENERGY,a.u. | -2.757000 | ||
| NORM | 1.000000 | < R > | 1.112002 | < R2 > | 1.450890 | < 1/R > | 1.286616 | < 1/R**2 > | 6.655247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.271959 | .89466175 |
| 2 | 1s | 10.132634 | .11045858 |
| 3 | 2s | 5.761144 | .01953872 |
| 4 | 3s | 7.774560 | -.02067523 |
| 5 | 4s | 13.042290 | .00460974 |
| 6 | 5s | 7.680487 | -.00376578 |
| 7 | 5s | 43.365894 | -.00003297 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .227008 | < R2 > | .069267 | < 1/R > | 6.675759 | < 1/R**2 > | 90.299297 |
Total Energy= -51.08231726 a.u.
Kinetic Energy= 51.08231694 a.u.
Potential Energy= -102.16463420 a.u.
Virial Ratio = -2.00000001