(1s 2 2s 2 2p 1 4p 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | .805695 | .56351396 |
| 2 | 3p | .928143 | -1.27215043 |
| 3 | 4p | .575042 | 1.54137463 |
| 4 | 5p | .919669 | -.38324703 |
| 5 | 2p | 3.611962 | .02735965 |
| 6 | 5p | 4.534446 | .00175095 |
| 7 | 3p | 6.752516 | -.00175657 |
| ORB.ENERGY,a.u. | -.161160 | ||
| NORM | .999999 | < R > | 8.888142 | < R2 > | 89.060330 | < 1/R > | .142938 | < 1/R**2 > | .037284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.222893 | .92006509 |
| 2 | 2p | 5.639845 | .05613015 |
| 3 | 3p | .808272 | -.07497424 |
| 4 | 5p | 2.437060 | .05659844 |
| 5 | 4p | 5.865515 | .02790543 |
| 6 | 4p | .571997 | .10073473 |
| 7 | 3p | 21.612015 | .00004001 |
| ORB.ENERGY,a.u. | -1.571900 | ||
| NORM | 1.000000 | < R > | 1.133153 | < R2 > | 1.872732 | < 1/R > | 1.162056 | < 1/R**2 > | 1.872989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.443040 | .26635484 |
| 2 | 2s | 1.981203 | -.76061134 |
| 3 | 3s | 3.462125 | -.28246906 |
| 4 | 4s | 13.117196 | .00179891 |
| 5 | 5s | 7.108209 | -.02373428 |
| 6 | 5s | 2.334456 | .02953841 |
| 7 | 3s | 11.471135 | .00030408 |
| 8 | 4s | .461939 | .00015874 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180748 | < R2 > | 1.648533 | < 1/R > | 1.209523 | < 1/R**2 > | 5.912278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.276511 | .00619049 |
| 2 | 1s | 6.254260 | .70923065 |
| 3 | 1s | 9.329338 | .22664611 |
| 4 | 2s | 7.135109 | .08426925 |
| 5 | 3s | 7.710381 | -.01452338 |
| 6 | 4s | 12.820881 | .00523200 |
| 7 | 5s | 22.197235 | .00017344 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227686 | < R2 > | .069783 | < 1/R > | 6.663595 | < 1/R**2 > | 90.049798 |
Total Energy= -52.97617146 a.u.
Kinetic Energy= 52.97695042 a.u.
Potential Energy= -105.95312187 a.u.
Virial Ratio = -1.99998530