(1s 2 2s 2 5s 1 ) 2 S C +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 5.341504 | .03727116 |
| 2 | 2s | 1.386726 | -.23442049 |
| 3 | 3s | .778148 | 1.10445906 |
| 4 | 4s | .502725 | -3.54266672 |
| 5 | 5s | .470576 | 3.31921542 |
| 6 | 5s | 6.862895 | -.00331985 |
| 7 | 4s | 3.803942 | -.02479300 |
| ORB.ENERGY,a.u. | -.104380 | ||
| NORM | 1.000003 | < R > | 14.420635 | < R2 > | 232.672837 | < 1/R > | .096761 | < 1/R**2 > | .083281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.424449 | .27076163 |
| 2 | 2s | 1.852681 | -.73639707 |
| 3 | 3s | 2.992925 | -.27886604 |
| 4 | 4s | 7.825022 | .01299220 |
| 5 | 5s | 2.734028 | -.04689508 |
| 6 | 3s | 8.229244 | .00752017 |
| 7 | 5s | 33.470354 | -.00004311 |
| ORB.ENERGY,a.u. | -1.577100 | ||
| NORM | 1.000000 | < R > | 1.372573 | < R2 > | 2.216936 | < 1/R > | 1.033737 | < 1/R**2 > | 4.279163 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.203203 | .71564854 |
| 2 | 1s | 8.161526 | .23033125 |
| 3 | 2s | 6.404090 | .08088824 |
| 4 | 3s | 6.890682 | -.01385496 |
| 5 | 4s | 11.048189 | .00538628 |
| 6 | 5s | 7.326716 | -.00210713 |
| 7 | 3s | 22.944406 | -.00008098 |
| ORB.ENERGY,a.u. | -12.359000 |
| NORM | 1.000000 | < R > | .267416 | < R2 > | .096254 | < 1/R > | 5.677124 | < 1/R**2 > | 65.451323 |
Total Energy= -36.51286156 a.u.
Kinetic Energy= 36.51286558 a.u.
Potential Energy= -73.02572714 a.u.
Virial Ratio = -1.99999989