(1s 2 2s 2 2p 1 4p 1 ) 3 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 2.011906 | .08907413 |
| 2 | 3p | .438003 | -.81073306 |
| 3 | 4p | .309328 | 1.36688467 |
| 4 | 5p | .933143 | -.06017329 |
| 5 | 2p | 6.350470 | .00149536 |
| 6 | 5p | 2.273294 | .02143699 |
| ORB.ENERGY,a.u. | -.044714 | ||
| NORM | 1.000000 | < R > | 15.944672 | < R2 > | 287.844508 | < 1/R > | .083783 | < 1/R**2 > | .018637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.590608 | .80451354 |
| 2 | 2p | 2.546909 | .23702125 |
| 3 | 2p | 6.522120 | .01065849 |
| 4 | 3p | 2.729149 | -.05104055 |
| 5 | 4p | 1.503215 | .04407393 |
| 6 | 4p | 10.441925 | -.00062565 |
| ORB.ENERGY,a.u. | -.779540 | ||
| NORM | 1.000000 | < R > | 1.470853 | < R2 > | 2.682831 | < 1/R > | .885979 | < 1/R**2 > | 1.105058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579447 | .24018786 |
| 2 | 2s | 1.547748 | -.76534803 |
| 3 | 3s | 2.872966 | -.27115620 |
| 4 | 4s | 11.515101 | .00209640 |
| 5 | 5s | 5.913044 | -.02796899 |
| 6 | 5s | 1.883762 | .03050911 |
| 7 | 2s | 30.826030 | -.00000597 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476735 | < R2 > | 2.594177 | < 1/R > | .960436 | < 1/R**2 > | 3.710871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212830 | .71608756 |
| 2 | 1s | 8.200545 | .22614430 |
| 3 | 1s | 2.395338 | .00359409 |
| 4 | 2s | 6.450942 | .08047786 |
| 5 | 3s | 6.780091 | -.01402461 |
| 6 | 4s | 10.924884 | .00565466 |
| 7 | 5s | 42.394309 | -.00002660 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268112 | < R2 > | .096888 | < 1/R > | 5.668366 | < 1/R**2 > | 65.300404 |
Total Energy= -37.33570066 a.u.
Kinetic Energy= 37.33693688 a.u.
Potential Energy= -74.67263754 a.u.
Virial Ratio = -1.99996689