(1s 2 4s 1 ) 2 S Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 3.524777 | .07597427 |
| 2 | 2s | .637253 | -1.22672850 |
| 3 | 3s | .549350 | 4.10849348 |
| 4 | 4s | .542649 | -3.74452667 |
| 5 | 5s | 1.051575 | .20257153 |
| 6 | 4s | 2.159884 | -.07229170 |
| 7 | 4s | 5.849916 | .00540325 |
| 8 | 5s | 15.604365 | .00019560 |
| ORB.ENERGY,a.u. | -.142880 | ||
| NORM | 1.000006 | < R > | 10.512187 | < R2 > | 124.390552 | < 1/R > | .136978 | < 1/R**2 > | .145689 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.252303 | .75175475 |
| 2 | 1s | 5.890345 | .20540341 |
| 3 | 2s | 5.115400 | .06542259 |
| 4 | 3s | 3.352521 | -.01087344 |
| 5 | 4s | 6.658395 | .00770371 |
| 6 | 5s | 25.366981 | -.00008841 |
| ORB.ENERGY,a.u. | -5.454200 |
| NORM | 1.000000 | < R > | .414208 | < R2 > | .231920 | < 1/R > | 3.687031 | < 1/R**2 > | 27.819302 |
Total Energy= -13.75416852 a.u.
Kinetic Energy= 13.75416492 a.u.
Potential Energy= -27.50833344 a.u.
Virial Ratio = -2.00000026