(1s 1 3s 1 ) 1 S Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 4.736189 | .64328649 |
| 2 | 2s | 6.994421 | -1.08818680 |
| 3 | 3s | 5.249452 | 1.87963960 |
| 4 | 4s | 10.972410 | -.51982969 |
| 5 | 5s | 8.837847 | -.38705950 |
| 6 | 5s | 20.418552 | -.00951308 |
| 7 | 3s | 13.913419 | -.14346259 |
| 8 | 4s | 2.344679 | -.00222315 |
| 9 | 4s | 41.286149 | .00019361 |
| 10 | 3s | 1.897486 | .00207047 |
| ORB.ENERGY,a.u. | -15.043000 | ||
| NORM | 1.000000 | < R > | .828788 | < R2 > | .780272 | < 1/R > | 1.599086 | < 1/R**2 > | 7.563575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.089942 | 1.00388740 |
| 2 | 2s | 4.579577 | .24517508 |
| 3 | 3s | 8.327479 | -.34210139 |
| 4 | 4s | 12.220372 | .06536036 |
| 5 | 5s | 10.812905 | .06179848 |
| 6 | 4s | 2.889875 | -.00280799 |
| 7 | 5s | 29.300243 | -.00013181 |
| 8 | 3s | 2.277931 | .00219359 |
| ORB.ENERGY,a.u. | -143.490000 |
| NORM | 1.000000 | < R > | .090862 | < R2 > | .014935 | < 1/R > | 17.192122 | < 1/R**2 > | 589.676262 |
Total Energy= -158.97870387 a.u.
Kinetic Energy= 158.93484028 a.u.
Potential Energy= -317.91354415 a.u.
Virial Ratio = -2.00027598