(1s 2 2s 2 2p 1 3p 1 ) 1 S C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | .581364 | -.63370526 |
| 2 | 2p | .879009 | .13052729 |
| 3 | 5p | .442579 | .22033228 |
| 4 | 4p | .454688 | -.67239945 |
| 5 | 2p | 8.528684 | .00114697 |
| 6 | 4p | 4.737850 | .00790446 |
| 7 | 3p | 6.517963 | .00442472 |
| 8 | 5p | .273689 | .00834928 |
| ORB.ENERGY,a.u. | -.042754 | ||
| NORM | 1.000000 | < R > | 7.522005 | < R2 > | 63.545371 | < 1/R > | .151730 | < 1/R**2 > | .028099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.687591 | .87720665 |
| 2 | 2p | 4.488547 | .07154375 |
| 3 | 3p | .475685 | -.07936405 |
| 4 | 5p | 1.954440 | .06095148 |
| 5 | 5p | 4.256223 | .02315540 |
| 6 | 4p | 5.048901 | .03574520 |
| 7 | 3p | 15.937725 | .00005555 |
| 8 | 4p | .204731 | .00125727 |
| ORB.ENERGY,a.u. | -.642000 | ||
| NORM | 1.000000 | < R > | 1.451250 | < R2 > | 2.778447 | < 1/R > | .901377 | < 1/R**2 > | 1.137106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.554130 | .24142294 |
| 2 | 2s | 1.571738 | -.78357895 |
| 3 | 3s | 2.769257 | -.28776932 |
| 4 | 4s | 10.834331 | .00340559 |
| 5 | 5s | 5.763957 | -.02257250 |
| 6 | 5s | 3.561250 | .02756088 |
| 7 | 4s | 23.328580 | .00007868 |
| 8 | 4s | 1.777940 | .03020121 |
| 9 | 5s | 1.064329 | -.00232551 |
| 10 | 2s | .788778 | .00386774 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.479047 | < R2 > | 2.603147 | < 1/R > | .958944 | < 1/R**2 > | 3.699560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212624 | .71601263 |
| 2 | 1s | 8.199981 | .22615476 |
| 3 | 1s | 2.431660 | .00382641 |
| 4 | 2s | 6.450962 | .08034212 |
| 5 | 3s | 6.775176 | -.01403921 |
| 6 | 4s | 10.921370 | .00563955 |
| 7 | 5s | 42.308925 | -.00002697 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268133 | < R2 > | .096907 | < 1/R > | 5.668107 | < 1/R**2 > | 65.295992 |
Total Energy= -37.38425996 a.u.
Kinetic Energy= 37.38734489 a.u.
Potential Energy= -74.77160485 a.u.
Virial Ratio = -1.99991749