(1s 2 2s 2 2p 4 3p 1 ) 4 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 2p | 4.895870 | .39083775 |
| 2 | 3p | 2.655428 | -.90394850 |
| 3 | 4p | 3.226710 | -.20820007 |
| 4 | 2p | 9.228158 | .08213458 |
| 5 | 5p | 14.004866 | .00505855 |
| 6 | 5p | 36.717378 | -.00034813 |
| 7 | 4p | 55.732121 | -.00006064 |
| 8 | 5p | 2.630747 | -.00624361 |
| ORB.ENERGY,a.u. | -3.462100 | ||
| NORM | 1.000000 | < R > | 1.402836 | < R2 > | 2.252822 | < 1/R > | .966100 | < 1/R**2 > | 2.013455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.803672 | 1.19023082 |
| 2 | 3p | 5.297806 | -.31707733 |
| 3 | 2p | 10.759029 | .10586204 |
| 4 | 4p | 12.155049 | .03435744 |
| 5 | 5p | 14.394774 | -.00775025 |
| 6 | 5p | 2.868975 | .00067325 |
| 7 | 3p | 34.955415 | .00009424 |
| ORB.ENERGY,a.u. | -10.425000 | ||
| NORM | 1.000000 | < R > | .442580 | < R2 > | .240729 | < 1/R > | 2.905545 | < 1/R**2 > | 11.644830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.080384 | .38325027 |
| 2 | 2s | 6.247203 | -.84321003 |
| 3 | 3s | 5.714552 | -.29676555 |
| 4 | 4s | 16.903642 | .00986781 |
| 5 | 3s | 21.021917 | .00576974 |
| 6 | 5s | 29.548688 | .00090915 |
| 7 | 5s | 5.233107 | -.00778925 |
| 8 | 2s | 58.758203 | .00003415 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .491053 | < R2 > | .284383 | < 1/R > | 2.975130 | < 1/R**2 > | 36.223207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.208591 | .92318584 |
| 2 | 1s | 20.987884 | .07318652 |
| 3 | 2s | 9.114809 | .01975510 |
| 4 | 3s | 11.136754 | -.01941608 |
| 5 | 4s | 13.572900 | .00940040 |
| 6 | 5s | 36.036592 | .00079980 |
| 7 | 4s | 81.433567 | -.00003823 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103560 | < R2 > | .014403 | < 1/R > | 14.594797 | < 1/R**2 > | 429.567893 |
Total Energy= -320.12012448 a.u.
Kinetic Energy= 320.14767692 a.u.
Potential Energy= -640.26780141 a.u.
Virial Ratio = -1.99991394