(1s 2 2s 1 4p 1 ) 1 P S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 6.445125 | .50262340 |
| 2 | 3p | 3.881908 | -.99753580 |
| 3 | 5p | 3.473813 | 1.52973184 |
| 4 | 4p | 5.102466 | -.38818878 |
| 5 | 5p | 7.848318 | .07639109 |
| 6 | 4p | 15.926941 | -.01213182 |
| 7 | 5p | 37.108054 | -.00160525 |
| 8 | 4p | 62.691382 | -.00044844 |
| 9 | 3p | 1.924264 | .00725236 |
| 10 | 5p | 91.722104 | .00012448 |
| ORB.ENERGY,a.u. | -5.416700 | ||
| NORM | 1.000000 | < R > | 1.726066 | < R2 > | 3.379009 | < 1/R > | .834246 | < 1/R**2 > | 1.909760 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.085167 | .42898348 |
| 2 | 2s | 6.940374 | -.80771162 |
| 3 | 3s | 8.344623 | -.30353094 |
| 4 | 5s | 13.928008 | -.02422916 |
| 5 | 4s | 28.678401 | .00505895 |
| 6 | 5s | 38.304719 | -.00108906 |
| 7 | 5s | 3.768327 | -.00053476 |
| 8 | 3s | 59.842456 | .00004834 |
| ORB.ENERGY,a.u. | -25.217000 | ||
| NORM | 1.000000 | < R > | .407612 | < R2 > | .193771 | < 1/R > | 3.622360 | < 1/R**2 > | 52.866189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.404272 | .93948133 |
| 2 | 1s | 24.389804 | .04825218 |
| 3 | 2s | 18.756927 | .01669262 |
| 4 | 3s | 8.649949 | .00065526 |
| 5 | 4s | 62.770620 | -.00047428 |
| 6 | 5s | 83.382642 | .00017524 |
| 7 | 5s | 17.977434 | .00077230 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096145 | < R2 > | .012370 | < 1/R > | 15.672053 | < 1/R**2 > | 494.008977 |
Total Energy= -277.42079329 a.u.
Kinetic Energy= 277.40289802 a.u.
Potential Energy= -554.82369131 a.u.
Virial Ratio = -2.00006451