(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 5p | 2.310299 | -.12627143 |
| 2 | 4p | 1.275631 | 1.59483589 |
| 3 | 5p | .987106 | -1.74597486 |
| 4 | 3p | 2.362888 | -.31161614 |
| 5 | 2p | 11.169816 | .00973390 |
| 6 | 2p | 5.496179 | .05907472 |
| 7 | 4p | 14.854421 | .00112320 |
| ORB.ENERGY,a.u. | -.460460 | ||
| NORM | 1.000000 | < R > | 6.347041 | < R2 > | 44.895418 | < 1/R > | .196427 | < 1/R**2 > | .089028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.365901 | .32838842 |
| 2 | 2p | .774081 | -.57510006 |
| 3 | 3p | 2.575499 | -.95176466 |
| 4 | 2p | 10.102699 | .08143059 |
| 5 | 3p | 19.386576 | -.00169451 |
| 6 | 5p | .595076 | .05076494 |
| 7 | 4p | 1.330454 | .52031915 |
| 8 | 4p | 42.235608 | .00004166 |
| 9 | 3p | .485952 | -.09437550 |
| 10 | 5p | 112.959161 | .00000383 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.465877 | < R2 > | 2.732153 | < 1/R > | .937766 | < 1/R**2 > | 1.938362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.386641 | -.35599078 |
| 2 | 1s | 12.221594 | .20716971 |
| 3 | 1s | 61.231646 | .00009572 |
| 4 | 2s | 5.547622 | -.24114034 |
| 5 | 3s | 2.818041 | 1.05834109 |
| 6 | 4s | 4.771600 | .07736744 |
| 7 | 3s | 36.342401 | -.00058836 |
| 8 | 5s | 2.719708 | .07267856 |
| 9 | 2s | .295115 | -.00016097 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.370526 | < R2 > | 2.137213 | < 1/R > | .995139 | < 1/R**2 > | 5.807855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786133 | .43130816 |
| 2 | 3p | 7.644087 | .51110651 |
| 3 | 5p | 4.528855 | .00567905 |
| 4 | 4p | 6.173446 | .15867908 |
| 5 | 2p | 24.555239 | .00153425 |
| 6 | 5p | 31.623062 | -.00014208 |
| 7 | 3p | 45.751251 | .00004166 |
| 8 | 3p | 1.905911 | .00025753 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404180 | < R2 > | .202481 | < 1/R > | 3.210304 | < 1/R**2 > | 14.344496 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.736048 | .37720515 |
| 2 | 2s | 6.940998 | -.76947821 |
| 3 | 3s | 6.359988 | -.16290216 |
| 4 | 4s | 27.733812 | .00178818 |
| 5 | 2s | 4.984474 | -.19719752 |
| 6 | 3s | 17.445739 | .00696970 |
| 7 | 4s | 3.017789 | -.00016953 |
| 8 | 5s | 49.850262 | .00003350 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439860 | < R2 > | .228979 | < 1/R > | 3.327404 | < 1/R**2 > | 45.530453 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01107010 |
| 2 | 2s | 20.627319 | -.01843000 |
| 3 | 3s | 15.108616 | .01701320 |
| 4 | 4s | 61.808567 | -.00038779 |
| 5 | 4s | 8.433018 | .00131843 |
| 6 | 5s | 79.875077 | .00010939 |
| 7 | 5s | 8.673027 | -.00052701 |
| 8 | 2s | 28.526567 | -.00343293 |
| 9 | 2s | 157.036029 | .00000253 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091274 | < R2 > | .011194 | < 1/R > | 16.562218 | < 1/R**2 > | 553.109612 |
Total Energy= -455.31882506 a.u.
Kinetic Energy= 455.32199689 a.u.
Potential Energy= -910.64082195 a.u.
Virial Ratio = -1.99999303