(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 4 D Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | .417028 | 1.39479535 |
| 2 | 5p | 1.128536 | .22865543 |
| 3 | 4p | 3.741577 | -.11847114 |
| 4 | 2p | 7.525999 | .03931591 |
| 5 | 5p | 2.704051 | -.11359571 |
| 6 | 3p | 10.770733 | -.00417012 |
| 7 | 3p | .815408 | -.78638532 |
| 8 | 4p | .455894 | .09960338 |
| 9 | 4p | 35.775495 | -.00003211 |
| ORB.ENERGY,a.u. | -.249040 | ||
| NORM | 1.000000 | < R > | 7.664954 | < R2 > | 66.745618 | < 1/R > | .157994 | < 1/R**2 > | .055892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.550997 | .80421252 |
| 2 | 2p | 1.803966 | -1.07190940 |
| 3 | 3p | 4.149961 | -.39759415 |
| 4 | 2p | 9.549919 | .08553774 |
| 5 | 3p | 14.750764 | -.00318531 |
| 6 | 4p | 1.684945 | -.15853626 |
| 7 | 5p | .863292 | -.00233624 |
| 8 | 5p | 40.377664 | -.00013015 |
| 9 | 4p | 60.451587 | -.00001932 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.710408 | < R2 > | 3.437259 | < 1/R > | .782313 | < 1/R**2 > | 1.354512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185160 | .79333962 |
| 2 | 1s | 9.574568 | .16720985 |
| 3 | 2s | 5.068899 | -.64392326 |
| 4 | 3s | 2.566442 | .46036999 |
| 5 | 4s | 5.009348 | .04053218 |
| 6 | 2s | 9.829749 | -.15330645 |
| 7 | 2s | 16.831262 | -.00694167 |
| 8 | 5s | 1.665759 | -.04672235 |
| 9 | 4s | 29.044405 | .00053632 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.507331 | < R2 > | 2.621118 | < 1/R > | .901269 | < 1/R**2 > | 4.713316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398313 | .46604446 |
| 2 | 3p | 7.267691 | .51309787 |
| 3 | 4p | 5.780879 | .11691130 |
| 4 | 5p | 3.735388 | .00319718 |
| 5 | 2p | 19.417320 | .00433984 |
| 6 | 5p | 37.751190 | -.00021243 |
| 7 | 3p | 1.482711 | .00043631 |
| 8 | 4p | 104.129252 | .00000329 |
| 9 | 3p | 29.356869 | -.00015122 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405539 | < R2 > | .204093 | < 1/R > | 3.202430 | < 1/R**2 > | 14.284411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761946 | .37485949 |
| 2 | 2s | 6.932892 | -.76838073 |
| 3 | 3s | 6.439557 | -.16180363 |
| 4 | 4s | 28.145621 | .00175191 |
| 5 | 2s | 4.830240 | -.19791463 |
| 6 | 3s | 17.538782 | .00664730 |
| 7 | 4s | 2.940385 | -.00138249 |
| 8 | 5s | 1.405055 | -.00001491 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441512 | < R2 > | .230949 | < 1/R > | 3.315810 | < 1/R**2 > | 45.242893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577176 | 1.01112620 |
| 2 | 2s | 20.731381 | -.01850454 |
| 3 | 3s | 15.043634 | .01709865 |
| 4 | 4s | 62.495670 | -.00037531 |
| 5 | 4s | 8.165440 | .00126601 |
| 6 | 5s | 80.836750 | .00010689 |
| 7 | 5s | 8.244431 | -.00055023 |
| 8 | 2s | 28.331145 | -.00339257 |
| 9 | 2s | 165.509025 | .00000213 |
| 10 | 3s | 2.244023 | -.00002181 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559960 | < 1/R**2 > | 552.993089 |
Total Energy= -459.13725792 a.u.
Kinetic Energy= 459.13826031 a.u.
Potential Energy= -918.27551823 a.u.
Virial Ratio = -1.99999782