(1s 2 2s 2 4s 1 ) 2 S N 2+
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 | 6.145404 | .07082241 |
| 2 | 2s | 1.307063 | -.82866044 |
| 3 | 3s | 1.130647 | 1.94237702 |
| 4 | 4s | .859714 | -1.80908877 |
| 5 | 5s | 2.564478 | .08812946 |
| 6 | 4s | 5.317141 | -.03138388 |
| 7 | 5s | 15.195264 | .00019871 |
| ORB.ENERGY,a.u. | -.365300 | ||
| NORM | .999999 | < R > | 6.202843 | < R2 > | 43.180890 | < 1/R > | .224417 | < 1/R**2 > | .377055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.317707 | .29228469 |
| 2 | 2s | 2.295815 | -.74920280 |
| 3 | 3s | 3.579154 | -.28876107 |
| 4 | 4s | 9.411079 | .01623765 |
| 5 | 5s | 3.298094 | -.03581567 |
| 6 | 3s | 11.511916 | .00636578 |
| 7 | 5s | 2.677387 | .00816063 |
| 8 | 5s | .854990 | .00043878 |
| 9 | 2s | 20.685448 | .00025945 |
| ORB.ENERGY,a.u. | -2.535700 | ||
| NORM | 1.000000 | < R > | 1.113257 | < R2 > | 1.454669 | < 1/R > | 1.285376 | < 1/R**2 > | 6.643998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.247696 | .70851997 |
| 2 | 1s | 9.282535 | .23160567 |
| 3 | 2s | 7.142764 | .08393105 |
| 4 | 3s | 7.846739 | -.01508159 |
| 5 | 4s | 13.160485 | .00909328 |
| 6 | 5s | 17.136244 | -.00169912 |
| 7 | 3s | 42.376769 | .00001535 |
| ORB.ENERGY,a.u. | -17.706000 |
| NORM | 1.000000 | < R > | .227022 | < R2 > | .069277 | < 1/R > | 6.675441 | < 1/R**2 > | 90.292084 |
Total Energy= -51.44750659 a.u.
Kinetic Energy= 51.44750736 a.u.
Potential Energy= -102.89501395 a.u.
Virial Ratio = -1.99999998