(1s 2 2s 1 3p 1 ) 1 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p | 1.044811 | -1.45606504 |
| 2 | 2p | 1.321304 | .78892489 |
| 3 | 2p | 3.369740 | .10683160 |
| 4 | 4p | 2.865900 | .01876357 |
| 5 | 3p | 6.625428 | -.00570596 |
| 6 | 5p | 25.815808 | .00003988 |
| ORB.ENERGY,a.u. | -.546960 | ||
| NORM | .999999 | < R > | 3.758178 | < R2 > | 16.395788 | < 1/R > | .384671 | < 1/R**2 > | .332275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.160540 | .31374377 |
| 2 | 2s | 2.095017 | -.84594593 |
| 3 | 3s | 2.594021 | -.21411297 |
| 4 | 4s | 8.160469 | .00534233 |
| 5 | 3s | 6.263943 | .02597762 |
| 6 | 5s | 4.230071 | -.02192222 |
| 7 | 5s | 34.543723 | -.00004149 |
| 8 | 4s | 1.380098 | .00187524 |
| ORB.ENERGY,a.u. | -2.002900 | ||
| NORM | 1.000000 | < R > | 1.298417 | < R2 > | 1.968484 | < 1/R > | 1.099702 | < 1/R**2 > | 4.878167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.277191 | .87959549 |
| 2 | 1s | 8.631497 | .12615369 |
| 3 | 2s | 5.085579 | .02015671 |
| 4 | 3s | 6.100931 | -.02431236 |
| 5 | 4s | 9.212967 | .00335612 |
| 6 | 5s | 14.719720 | .00151527 |
| 7 | 5s | 46.375953 | -.00003469 |
| 8 | 4s | 3.122470 | .00142810 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267687 | < R2 > | .096547 | < 1/R > | 5.674947 | < 1/R**2 > | 65.424467 |
Total Energy= -35.29047531 a.u.
Kinetic Energy= 35.27300373 a.u.
Potential Energy= -70.56347904 a.u.
Virial Ratio = -2.00049532