(1s 2 2s 2 2p 1 3p 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3.158667 | .93594256 |
| 2 | 3p | 3.552783 | -1.86668464 |
| 3 | 2p | 9.433073 | .02087514 |
| 4 | 4p | 6.723905 | .03986185 |
| 5 | 5p | 15.228870 | .00225517 |
| 6 | 5p | 3.558126 | -.02571836 |
| 7 | 4p | 33.974443 | -.00013076 |
| ORB.ENERGY,a.u. | -6.258100 | ||
| NORM | 1.000000 | < R > | 1.141872 | < R2 > | 1.440773 | < 1/R > | .992346 | < 1/R**2 > | 1.275561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.975384 | 1.04854032 |
| 2 | 3p | 3.352164 | -.33659641 |
| 3 | 2p | 10.617793 | .09261310 |
| 4 | 5p | 13.736488 | .00841813 |
| 5 | 4p | 24.446615 | -.00128010 |
| 6 | 5p | 3.317526 | .02112341 |
| 7 | 3p | 22.332825 | -.00132111 |
| 8 | 4p | 2.690062 | -.00675496 |
| ORB.ENERGY,a.u. | -16.625000 | ||
| NORM | 1.000000 | < R > | .379662 | < R2 > | .196884 | < 1/R > | 3.404206 | < 1/R**2 > | 15.489353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.952057 | .37132384 |
| 2 | 2s | 5.651807 | -.80791698 |
| 3 | 3s | 8.182155 | -.28144944 |
| 4 | 4s | 27.985224 | .00134249 |
| 5 | 5s | 15.952405 | -.01039307 |
| 6 | 5s | 6.544584 | .01423303 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458354 | < R2 > | .246018 | < 1/R > | 3.199493 | < 1/R**2 > | 41.437191 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.160053 | .93127720 |
| 2 | 1s | 21.943442 | .06833213 |
| 3 | 2s | 13.118091 | .01921058 |
| 4 | 3s | 16.272164 | -.01649159 |
| 5 | 4s | 76.934464 | -.00005732 |
| 6 | 5s | 34.307549 | .00088094 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103017 | < R2 > | .014218 | < 1/R > | 14.643372 | < 1/R**2 > | 431.776749 |
Total Energy= -282.34792466 a.u.
Kinetic Energy= 282.10916098 a.u.
Potential Energy= -564.45708564 a.u.
Virial Ratio = -2.00084635