(1s 2 2s 2 2p 4 3p 1 ) 2 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 4.644779 | .39201511 |
| 2 | 3p | 2.674574 | -.91676334 |
| 3 | 4p | 3.107519 | -.20683018 |
| 4 | 2p | 9.095960 | .08710285 |
| 5 | 5p | 14.010882 | .00325092 |
| 6 | 5p | 35.610046 | -.00036167 |
| 7 | 4p | 53.547645 | -.00006652 |
| 8 | 5p | 2.637200 | -.01578561 |
| ORB.ENERGY,a.u. | -3.421900 | ||
| NORM | 1.000000 | < R > | 1.424856 | < R2 > | 2.315122 | < 1/R > | .937876 | < 1/R**2 > | 1.869405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.144549 | 1.15790246 |
| 2 | 3p | 5.969180 | -.22979434 |
| 3 | 2p | 11.617578 | .06750107 |
| 4 | 4p | 13.558923 | .01684803 |
| 5 | 5p | 16.268148 | -.00184892 |
| 6 | 5p | 3.117562 | -.00143169 |
| 7 | 3p | 36.851642 | .00007738 |
| ORB.ENERGY,a.u. | -10.384000 | ||
| NORM | 1.000000 | < R > | .441150 | < R2 > | .238677 | < 1/R > | 2.910845 | < 1/R**2 > | 11.676996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.086576 | .38298297 |
| 2 | 2s | 6.243013 | -.84262944 |
| 3 | 3s | 5.721949 | -.29635268 |
| 4 | 4s | 17.064686 | .00970698 |
| 5 | 3s | 21.195175 | .00551614 |
| 6 | 5s | 29.753148 | .00089093 |
| 7 | 5s | 5.256758 | -.00800849 |
| 8 | 2s | 59.349666 | .00003228 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .491002 | < R2 > | .284312 | < 1/R > | 2.975364 | < 1/R**2 > | 36.228061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.208599 | .92317557 |
| 2 | 1s | 20.987985 | .07319197 |
| 3 | 2s | 9.120432 | .01975818 |
| 4 | 3s | 11.145178 | -.01939972 |
| 5 | 4s | 13.578244 | .00938739 |
| 6 | 5s | 36.042275 | .00079997 |
| 7 | 4s | 81.437313 | -.00003817 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103560 | < R2 > | .014403 | < 1/R > | 14.594813 | < 1/R**2 > | 429.568729 |
Total Energy= -320.12106414 a.u.
Kinetic Energy= 320.10756757 a.u.
Potential Energy= -640.22863171 a.u.
Virial Ratio = -2.00004216