(1s 2 2s 2 2p 6 3s 2 4d 1 ) 2 D Cl 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.712292 | .75557320 |
| 2 | 4d | 1.324902 | -1.41939929 |
| 3 | 3d | 3.124940 | .27119143 |
| 4 | 4d | 3.725890 | -.10095758 |
| 5 | 5d | 6.874699 | -.00612714 |
| 6 | 3d | 8.277889 | .00758749 |
| 7 | 5d | 1.087527 | .00301110 |
| 8 | 4d | 52.919818 | .00000319 |
| ORB.ENERGY,a.u. | -.876930 | ||
| NORM | .999999 | < R > | 3.673793 | < R2 > | 15.493755 | < 1/R > | .370075 | < 1/R**2 > | .246445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.495766 | -.32351270 |
| 2 | 1s | 12.596103 | .18072222 |
| 3 | 1s | 33.968824 | .00045420 |
| 4 | 2s | 6.031826 | -.30305899 |
| 5 | 3s | 2.780568 | 1.08725528 |
| 6 | 4s | 4.274262 | .16292760 |
| 7 | 5s | 33.962545 | .00051473 |
| 8 | 5s | 2.055929 | .00241340 |
| ORB.ENERGY,a.u. | -3.147200 | ||
| NORM | 1.000000 | < R > | 1.335473 | < R2 > | 2.024262 | < 1/R > | 1.023721 | < 1/R**2 > | 6.164156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.739394 | .43520115 |
| 2 | 3p | 7.674553 | .49920718 |
| 3 | 5p | 5.014357 | .00843917 |
| 4 | 4p | 6.292542 | .16272107 |
| 5 | 2p | 22.423941 | .00220012 |
| 6 | 5p | 37.361240 | -.00016390 |
| 7 | 4p | 94.125410 | .00000512 |
| 8 | 3p | 162.473347 | .00000041 |
| 9 | 4p | 1.164285 | -.00004455 |
| ORB.ENERGY,a.u. | -10.431000 | ||
| NORM | 1.000000 | < R > | .403349 | < R2 > | .201512 | < 1/R > | 3.215282 | < 1/R**2 > | 14.383112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.717330 | .37866975 |
| 2 | 2s | 6.939752 | -.77085807 |
| 3 | 3s | 6.257412 | -.16421000 |
| 4 | 4s | 28.076075 | .00193725 |
| 5 | 2s | 5.139331 | -.19585953 |
| 6 | 3s | 17.088458 | .00748057 |
| 7 | 4s | 1.963818 | .00004131 |
| 8 | 5s | 63.228143 | .00001953 |
| 9 | 2s | 26.611734 | .00004027 |
| ORB.ENERGY,a.u. | -12.871000 | ||
| NORM | 1.000000 | < R > | .439003 | < R2 > | .227980 | < 1/R > | 3.333605 | < 1/R**2 > | 45.685307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580572 | 1.01102084 |
| 2 | 2s | 20.558081 | -.01838813 |
| 3 | 3s | 15.154932 | .01696527 |
| 4 | 4s | 61.409952 | -.00040751 |
| 5 | 4s | 8.564634 | .00129392 |
| 6 | 5s | 78.969455 | .00011779 |
| 7 | 5s | 8.762815 | -.00054108 |
| 8 | 2s | 28.641604 | -.00344492 |
| 9 | 2s | 163.542805 | .00000237 |
| 10 | 3s | 5.576165 | .00009426 |
| ORB.ENERGY,a.u. | -106.790000 |
| NORM | 1.000000 | < R > | .091261 | < R2 > | .011190 | < 1/R > | 16.563777 | < 1/R**2 > | 553.190789 |
Total Energy= -453.28959261 a.u.
Kinetic Energy= 453.28719870 a.u.
Potential Energy= -906.57679132 a.u.
Virial Ratio = -2.00000528