(1s 2 2s 2 ) 1 S N 3+
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 | 5.830615 | .32995766 |
| 2 | 2s | 2.602285 | -.85356913 |
| 3 | 3s | 2.821205 | -.23003876 |
| 4 | 4s | 14.669645 | .01033764 |
| 5 | 4s | 8.393337 | .02800078 |
| 6 | 5s | 2.718698 | -.03017183 |
| 7 | 5s | 19.066332 | -.00340534 |
| 8 | 4s | 48.770140 | .00005669 |
| ORB.ENERGY,a.u. | -2.757000 | ||
| NORM | 1.000000 | < R > | 1.112002 | < R2 > | 1.450892 | < 1/R > | 1.286616 | < 1/R**2 > | 6.655239 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.273587 | .89490945 |
| 2 | 1s | 10.151721 | .10985414 |
| 3 | 2s | 5.966510 | .01933600 |
| 4 | 3s | 8.095761 | -.02002357 |
| 5 | 4s | 13.162206 | .00511428 |
| 6 | 5s | 7.938197 | -.00430198 |
| 7 | 5s | 55.047836 | -.00001103 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .227008 | < R2 > | .069267 | < 1/R > | 6.675759 | < 1/R**2 > | 90.299275 |
Total Energy= -51.08231662 a.u.
Kinetic Energy= 51.08231560 a.u.
Potential Energy= -102.16463222 a.u.
Virial Ratio = -2.00000002