(1s 2 2s 1 2p 1 ) 1 P N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 2.204075 | .84403743 |
| 2 | 2p | 4.036077 | .19287426 |
| 3 | 3p | 7.087921 | -.01392279 |
| 4 | 4p | 1.834563 | .01246808 |
| 5 | 5p | 16.903548 | -.00027091 |
| 6 | 4p | 1.545508 | -.00387521 |
| ORB.ENERGY,a.u. | -2.190300 | ||
| NORM | 1.000000 | < R > | 1.044156 | < R2 > | 1.340751 | < 1/R > | 1.234189 | < 1/R**2 > | 2.109756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.916554 | .32280581 |
| 2 | 2s | 2.550188 | -.83196535 |
| 3 | 3s | 2.715484 | -.23856183 |
| 4 | 4s | 8.355614 | .02457793 |
| 5 | 5s | 2.655064 | -.03586912 |
| 6 | 5s | 30.848797 | .00041229 |
| 7 | 4s | 13.540975 | .00612496 |
| 8 | 4s | 45.555490 | .00009413 |
| ORB.ENERGY,a.u. | -2.560900 | ||
| NORM | 1.000000 | < R > | 1.139383 | < R2 > | 1.528274 | < 1/R > | 1.267811 | < 1/R**2 > | 6.626804 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.249360 | .89064285 |
| 2 | 1s | 9.960740 | .11624186 |
| 3 | 2s | 4.641425 | .01233606 |
| 4 | 3s | 7.276234 | -.01605297 |
| 5 | 4s | 12.453944 | .00424568 |
| 6 | 5s | 4.074095 | .00254881 |
| 7 | 5s | 43.236411 | -.00005356 |
| 8 | 3s | 2.266781 | .00155395 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .228472 | < R2 > | .070503 | < 1/R > | 6.653031 | < 1/R**2 > | 89.855491 |
Total Energy= -50.76496965 a.u.
Kinetic Energy= 50.51707519 a.u.
Potential Energy= -101.28204484 a.u.
Virial Ratio = -2.00490714