(1s 2 2s 2 2p 5 4p 1 ) 1 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 8.199028 | .18554167 |
| 2 | 3p | 1.740006 | 2.17026986 |
| 3 | 4p | 3.296523 | -1.55571628 |
| 4 | 5p | 5.925635 | -.17288079 |
| 5 | 3p | 14.827793 | -.00321121 |
| 6 | 5p | 1.670646 | -.27452299 |
| 7 | 4p | 1.220035 | .12598680 |
| 8 | 3p | .941383 | -.04928869 |
| 9 | 4p | 36.093414 | -.00008502 |
| ORB.ENERGY,a.u. | -2.356200 | ||
| NORM | .999999 | < R > | 2.441094 | < R2 > | 6.738774 | < 1/R > | .576370 | < 1/R**2 > | .968056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.874622 | 1.18971933 |
| 2 | 3p | 6.919766 | -.25614948 |
| 3 | 2p | 13.048449 | .06611185 |
| 4 | 4p | 15.902811 | .00916415 |
| 5 | 5p | 2.350330 | .00076854 |
| 6 | 5p | 38.803458 | -.00014843 |
| ORB.ENERGY,a.u. | -14.100000 | ||
| NORM | 1.000000 | < R > | .387170 | < R2 > | .184215 | < 1/R > | 3.322608 | < 1/R**2 > | 15.234903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.585681 | .39248208 |
| 2 | 2s | 7.176213 | -.84165423 |
| 3 | 3s | 6.565773 | -.30365380 |
| 4 | 4s | 11.935216 | .00253168 |
| 5 | 3s | 16.932626 | .01145366 |
| 6 | 5s | 35.788727 | .00073627 |
| 7 | 5s | 6.593243 | -.00959067 |
| 8 | 4s | 2.296276 | .00017476 |
| 9 | 3s | 66.699467 | -.00003454 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429734 | < R2 > | .217741 | < 1/R > | 3.406119 | < 1/R**2 > | 47.528641 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183121 | .92724663 |
| 2 | 1s | 23.747489 | .06858275 |
| 3 | 2s | 10.167137 | .02127911 |
| 4 | 3s | 12.551091 | -.02162071 |
| 5 | 4s | 15.509218 | .01070546 |
| 6 | 5s | 40.684707 | .00065988 |
| 7 | 4s | 89.415511 | -.00003857 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091158 | < R2 > | .011159 | < 1/R > | 16.575462 | < 1/R**2 > | 553.797724 |
Total Energy= -434.36516386 a.u.
Kinetic Energy= 434.36017560 a.u.
Potential Energy= -868.72533946 a.u.
Virial Ratio = -2.00001148