(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 S P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 6.794020 | -.12843337 |
| 2 | 3p | 1.226840 | -.13001055 |
| 3 | 5p | .768230 | .24835755 |
| 4 | 4p | .455997 | .78747688 |
| 5 | 2p | 5.375684 | .24278681 |
| 6 | 3p | 6.140423 | -.10839631 |
| 7 | 5p | .315862 | -.10657859 |
| 8 | 3p | .176250 | .13491944 |
| 9 | 4p | 32.657692 | -.00002261 |
| ORB.ENERGY,a.u. | -.209160 | ||
| NORM | 1.000000 | < R > | 9.420120 | < R2 > | 99.598795 | < 1/R > | .119608 | < 1/R**2 > | .017400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.952611 | .28247497 |
| 2 | 2p | 1.213001 | -.88675186 |
| 3 | 3p | 1.924470 | -.20534438 |
| 4 | 2p | 7.845070 | .09091502 |
| 5 | 3p | .310591 | .08159208 |
| 6 | 4p | .342029 | -.05049794 |
| 7 | 4p | 13.544320 | -.00251807 |
| 8 | 5p | 31.360682 | -.00012663 |
| 9 | 2p | 23.814379 | .00038556 |
| 10 | 5p | .187776 | .00335381 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.126255 | < R2 > | 5.308482 | < 1/R > | .619930 | < 1/R**2 > | .846077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 4.734023 | -.24422979 |
| 2 | 3s | 1.913036 | .84231341 |
| 3 | 4s | 3.421578 | .19296978 |
| 4 | 3s | 29.330354 | -.00055203 |
| 5 | 5s | 1.722459 | .06336046 |
| 6 | 1s | 4.383630 | -.17692846 |
| 7 | 1s | 10.694331 | .17081348 |
| 8 | 1s | 39.932664 | .00025597 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848093 | < R2 > | 3.935860 | < 1/R > | .724928 | < 1/R**2 > | 2.968954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372625 | .42809569 |
| 2 | 3p | 6.500485 | .49501249 |
| 3 | 2p | 20.147973 | .00249399 |
| 4 | 4p | 5.240175 | .18070194 |
| 5 | 5p | 4.033685 | .01286508 |
| 6 | 3p | 38.497086 | .00006500 |
| 7 | 4p | 82.186774 | -.00000233 |
| 8 | 3p | 1.597903 | .00090295 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483359 | < R2 > | .291769 | < 1/R > | 2.706588 | < 1/R**2 > | 10.286351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194486 | .35988240 |
| 2 | 2s | 5.437887 | -.77666953 |
| 3 | 3s | 4.856657 | -.17146837 |
| 4 | 4s | 23.622509 | .00226614 |
| 5 | 2s | 6.760245 | -.17609734 |
| 6 | 3s | 15.374317 | .00817284 |
| 7 | 5s | 4.031469 | -.00308897 |
| 8 | 4s | 1.915402 | -.00025206 |
| 9 | 5s | 47.995017 | .00005506 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515319 | < R2 > | .315444 | < 1/R > | 2.833461 | < 1/R**2 > | 33.094414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.397771 | -.00021462 |
| 2 | 1s | 14.570410 | 1.01425826 |
| 3 | 2s | 21.105350 | -.02188129 |
| 4 | 3s | 11.321532 | .01689846 |
| 5 | 4s | 20.109292 | -.00094972 |
| 6 | 5s | 17.685912 | .00342836 |
| 7 | 5s | 62.495916 | -.00003185 |
| 8 | 4s | 12.074702 | -.00660202 |
| 9 | 2s | 54.223325 | .00013070 |
| 10 | 3s | 7.509617 | .00141297 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573861 | < 1/R**2 > | 428.620249 |
Total Energy= -340.42807622 a.u.
Kinetic Energy= 340.39862912 a.u.
Potential Energy= -680.82670534 a.u.
Virial Ratio = -2.00008651