(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 2 D Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 3p | 37.208868 | -.00006752 |
| 2 | 2p | 6.790865 | .14235771 |
| 3 | 3p | 2.499817 | -.36472978 |
| 4 | 4p | 1.243618 | .41573692 |
| 5 | 5p | .635027 | -.56581046 |
| 6 | 3p | 8.598187 | -.02926031 |
| 7 | 4p | 20.199040 | -.00184138 |
| 8 | 4p | .439618 | -1.82398532 |
| 9 | 3p | .421083 | 1.60873305 |
| 10 | 5p | 44.298077 | -.00006178 |
| ORB.ENERGY,a.u. | -.249310 | ||
| NORM | .999993 | < R > | 9.826653 | < R2 > | 117.898943 | < 1/R > | .186962 | < 1/R**2 > | .216401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.611920 | .81350663 |
| 2 | 2p | 1.868392 | -1.05933439 |
| 3 | 3p | 4.248972 | -.37430334 |
| 4 | 2p | 9.716717 | .08004119 |
| 5 | 3p | 16.402632 | -.00231368 |
| 6 | 4p | 1.755646 | -.20080830 |
| 7 | 5p | .695973 | .00587173 |
| 8 | 5p | 46.478279 | -.00003717 |
| 9 | 3p | .465348 | -.00586446 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.705688 | < R2 > | 3.413360 | < 1/R > | .784207 | < 1/R**2 > | 1.361678 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185635 | .79334723 |
| 2 | 1s | 9.574848 | .16726094 |
| 3 | 2s | 5.069203 | -.64412934 |
| 4 | 3s | 2.567343 | .46052495 |
| 5 | 4s | 5.003318 | .04053396 |
| 6 | 2s | 9.828832 | -.15338040 |
| 7 | 2s | 16.835713 | -.00694383 |
| 8 | 5s | 1.661557 | -.04703446 |
| 9 | 4s | 29.056440 | .00053410 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506675 | < R2 > | 2.618478 | < 1/R > | .901618 | < 1/R**2 > | 4.716850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.345877 | .46809451 |
| 2 | 3p | 7.270609 | .50587924 |
| 3 | 4p | 5.841883 | .11839984 |
| 4 | 5p | 4.320899 | .00345662 |
| 5 | 2p | 17.723960 | .00635643 |
| 6 | 5p | 35.968097 | -.00025865 |
| 7 | 3p | 2.224080 | .00213741 |
| 8 | 4p | 97.533660 | .00000467 |
| 9 | 3p | 26.007754 | -.00045171 |
| 10 | 5p | .410726 | .00017115 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405625 | < R2 > | .204219 | < 1/R > | 3.202070 | < 1/R**2 > | 14.282004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762003 | .37486820 |
| 2 | 2s | 6.932956 | -.76838769 |
| 3 | 3s | 6.440264 | -.16179938 |
| 4 | 4s | 28.145370 | .00175010 |
| 5 | 2s | 4.830099 | -.19791602 |
| 6 | 3s | 17.543873 | .00664585 |
| 7 | 4s | 2.924593 | -.00136698 |
| 8 | 5s | 1.332985 | -.00001630 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441498 | < R2 > | .230933 | < 1/R > | 3.315910 | < 1/R**2 > | 45.245350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577198 | 1.01112565 |
| 2 | 2s | 20.730586 | -.01850403 |
| 3 | 3s | 15.044179 | .01709803 |
| 4 | 4s | 62.502967 | -.00037542 |
| 5 | 4s | 8.164101 | .00126648 |
| 6 | 5s | 80.841777 | .00010689 |
| 7 | 5s | 8.243043 | -.00055035 |
| 8 | 2s | 28.331458 | -.00339263 |
| 9 | 2s | 166.039679 | .00000211 |
| 10 | 3s | 2.251051 | -.00002177 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559986 | < 1/R**2 > | 552.994470 |
Total Energy= -459.03466113 a.u.
Kinetic Energy= 459.57886548 a.u.
Potential Energy= -918.61352661 a.u.
Virial Ratio = -1.99881586