(1s 2 2s 2 3s 1 ) 2 S N 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 6.045055 | .12139541 |
| 2 | 2s | 1.836779 | -.65384064 |
| 3 | 3s | 1.257382 | 1.30159699 |
| 4 | 4s | 4.283138 | -.05535269 |
| 5 | 5s | 7.391345 | -.01248116 |
| 6 | 5s | 1.261931 | .02027182 |
| 7 | 4s | 14.502815 | .00036038 |
| ORB.ENERGY,a.u. | -.722550 | ||
| NORM | 1.000000 | < R > | 3.176382 | < R2 > | 11.391097 | < 1/R > | .429226 | < 1/R**2 > | 1.048211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.325233 | .29110281 |
| 2 | 2s | 2.295186 | -.74780392 |
| 3 | 3s | 3.520721 | -.29764272 |
| 4 | 4s | 9.452629 | .01580243 |
| 5 | 5s | 3.349956 | -.02427384 |
| 6 | 3s | 11.519985 | .00650612 |
| 7 | 5s | 4.430536 | .00616985 |
| 8 | 5s | 1.608812 | -.00301992 |
| 9 | 2s | 19.987658 | .00031357 |
| ORB.ENERGY,a.u. | -2.366800 | ||
| NORM | 1.000000 | < R > | 1.116676 | < R2 > | 1.465690 | < 1/R > | 1.282261 | < 1/R**2 > | 6.615980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.246985 | .70833896 |
| 2 | 1s | 9.280237 | .23180141 |
| 3 | 2s | 7.158169 | .08359264 |
| 4 | 3s | 7.983898 | -.01545106 |
| 5 | 4s | 12.996104 | .01009245 |
| 6 | 5s | 16.582732 | -.00190680 |
| 7 | 3s | 29.147611 | .00002575 |
| ORB.ENERGY,a.u. | -17.502000 |
| NORM | 1.000000 | < R > | .227049 | < R2 > | .069296 | < 1/R > | 6.674872 | < 1/R**2 > | 90.279192 |
Total Energy= -51.80458545 a.u.
Kinetic Energy= 51.80459097 a.u.
Potential Energy= -103.60917641 a.u.
Virial Ratio = -1.99999989