(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 S P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 1.899371 | -.05783840 |
| 2 | 3p | 1.672819 | -.18647420 |
| 3 | 5p | .916163 | .23576381 |
| 4 | 4p | .531117 | .71919121 |
| 5 | 2p | 4.772810 | .11334238 |
| 6 | 3p | 6.569055 | -.03890132 |
| 7 | 4p | 17.760970 | -.00072575 |
| 8 | 3p | .353241 | .08836800 |
| 9 | 5p | 49.003635 | -.00004674 |
| ORB.ENERGY,a.u. | -.216200 | ||
| NORM | 1.000000 | < R > | 7.985320 | < R2 > | 71.997063 | < 1/R > | .153820 | < 1/R**2 > | .057943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.090459 | .25978910 |
| 2 | 2p | 1.007151 | -.97655928 |
| 3 | 3p | 2.033931 | -.28385676 |
| 4 | 2p | 8.080643 | .08682912 |
| 5 | 4p | 1.200791 | .22884487 |
| 6 | 3p | 12.188387 | -.00478106 |
| 7 | 4p | 30.102404 | -.00014572 |
| 8 | 5p | .431430 | -.00087605 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.140408 | < R2 > | 5.348208 | < 1/R > | .616509 | < 1/R**2 > | .838178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 4.735494 | -.24412669 |
| 2 | 3s | 1.911459 | .84307334 |
| 3 | 4s | 3.419489 | .19242492 |
| 4 | 3s | 29.129624 | -.00056402 |
| 5 | 5s | 1.705286 | .06332793 |
| 6 | 1s | 4.390552 | -.17661499 |
| 7 | 1s | 10.689251 | .17081123 |
| 8 | 1s | 39.917634 | .00025857 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.849968 | < R2 > | 3.945036 | < 1/R > | .724249 | < 1/R**2 > | 2.963044 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372844 | .42806058 |
| 2 | 3p | 6.500496 | .49504460 |
| 3 | 2p | 20.146223 | .00249423 |
| 4 | 4p | 5.239897 | .18071721 |
| 5 | 5p | 4.030525 | .01288053 |
| 6 | 3p | 38.628932 | .00006433 |
| 7 | 4p | 83.592925 | -.00000233 |
| 8 | 3p | 1.608617 | .00089266 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483375 | < R2 > | .291793 | < 1/R > | 2.706527 | < 1/R**2 > | 10.285968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194221 | .35988142 |
| 2 | 2s | 5.437833 | -.77667453 |
| 3 | 3s | 4.855992 | -.17148105 |
| 4 | 4s | 23.601500 | .00226250 |
| 5 | 2s | 6.760397 | -.17609599 |
| 6 | 3s | 15.372537 | .00817389 |
| 7 | 5s | 4.027679 | -.00310037 |
| 8 | 4s | 1.932944 | -.00024672 |
| 9 | 5s | 47.294651 | .00005733 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515338 | < R2 > | .315471 | < 1/R > | 2.833364 | < 1/R**2 > | 33.092352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.388813 | -.00021304 |
| 2 | 1s | 14.570410 | 1.01425751 |
| 3 | 2s | 21.105334 | -.02188123 |
| 4 | 3s | 11.321510 | .01689845 |
| 5 | 4s | 20.107723 | -.00094977 |
| 6 | 5s | 17.685507 | .00342847 |
| 7 | 5s | 62.517983 | -.00003186 |
| 8 | 4s | 12.074780 | -.00660196 |
| 9 | 2s | 54.222921 | .00013069 |
| 10 | 3s | 7.510232 | .00141277 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573848 | < 1/R**2 > | 428.619678 |
Total Energy= -340.42829792 a.u.
Kinetic Energy= 340.43901624 a.u.
Potential Energy= -680.86731415 a.u.
Virial Ratio = -1.99996852