(1s 2 2s 2 ) 1 S B +
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 | 4.553464 | .23827313 |
| 2 | 2s | 1.368538 | -.75132935 |
| 3 | 3s | 2.340480 | -.26981475 |
| 4 | 4s | 6.869711 | .01490589 |
| 5 | 5s | 2.834594 | .03641212 |
| 6 | 4s | 1.999892 | -.06015655 |
| 7 | 5s | 14.194198 | .00103223 |
| 8 | 4s | 39.046322 | -.00004460 |
| 9 | 2s | 31.618835 | -.00003320 |
| ORB.ENERGY,a.u. | -.861790 | ||
| NORM | 1.000000 | < R > | 1.798198 | < R2 > | 3.825456 | < 1/R > | .780153 | < 1/R**2 > | 2.413740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.319354 | .88754335 |
| 2 | 1s | 7.341606 | .12366275 |
| 3 | 2s | 4.238463 | .01470353 |
| 4 | 3s | 5.685466 | -.02061261 |
| 5 | 4s | 9.050736 | .00573311 |
| 6 | 5s | 5.736374 | -.00399608 |
| 7 | 5s | 30.694293 | -.00005417 |
| ORB.ENERGY,a.u. | -7.998900 |
| NORM | .999999 | < R > | .325270 | < R2 > | .142685 | < 1/R > | 4.679162 | < 1/R**2 > | 44.605000 |
Total Energy= -24.23755816 a.u.
Kinetic Energy= 24.23751436 a.u.
Potential Energy= -48.47507252 a.u.
Virial Ratio = -2.00000181