(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 5d- electron | |
| 1 | 3d | 1.365859 | .61612710 |
| 2 | 4d | .856452 | -3.57533289 |
| 3 | 5d | .842916 | 3.62374633 |
| 4 | 3d | 3.418326 | .22289256 |
| 5 | 4d | 4.470700 | -.16212121 |
| 6 | 5d | 5.489555 | .05592306 |
| 7 | 3d | 44.444140 | .00000142 |
| ORB.ENERGY,a.u. | -.349590 | ||
| NORM | .999998 | < R > | 7.759025 | < R2 > | 68.847188 | < 1/R > | .190917 | < 1/R**2 > | .092354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.095723 | .36774326 |
| 2 | 2p | 1.955928 | -.40161183 |
| 3 | 3p | 2.475123 | -.71458795 |
| 4 | 2p | 9.861911 | .08867588 |
| 5 | 3p | 17.134718 | -.00216735 |
| 6 | 4p | 31.977303 | -.00009203 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.463223 | < R2 > | 2.461725 | < 1/R > | .914784 | < 1/R**2 > | 1.839822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.929385 | -.40563433 |
| 2 | 1s | 12.273877 | .20142498 |
| 3 | 1s | 62.481470 | .00008882 |
| 4 | 2s | 5.940676 | -.20844534 |
| 5 | 3s | 2.732558 | 1.06824554 |
| 6 | 4s | 4.647501 | .14488594 |
| 7 | 3s | 36.614480 | -.00057977 |
| 8 | 5s | 2.550393 | .02918995 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.371432 | < R2 > | 2.139955 | < 1/R > | .994269 | < 1/R**2 > | 5.796049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.786157 | .43128145 |
| 2 | 3p | 7.644160 | .51122280 |
| 3 | 5p | 4.434951 | .00565069 |
| 4 | 4p | 6.167778 | .15884317 |
| 5 | 2p | 24.277162 | .00158507 |
| 6 | 5p | 32.664515 | -.00015646 |
| 7 | 3p | 48.480830 | .00003041 |
| 8 | 3p | 1.336436 | .00007448 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404187 | < R2 > | .202500 | < 1/R > | 3.210380 | < 1/R**2 > | 14.345472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.736063 | .37723605 |
| 2 | 2s | 6.941531 | -.76947083 |
| 3 | 3s | 6.361002 | -.16289985 |
| 4 | 4s | 27.635659 | .00177480 |
| 5 | 2s | 4.983886 | -.19719557 |
| 6 | 3s | 17.504496 | .00693806 |
| 7 | 4s | 2.795709 | -.00018219 |
| 8 | 5s | 48.614070 | .00003986 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439831 | < R2 > | .228950 | < 1/R > | 3.327668 | < 1/R**2 > | 45.537322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01106073 |
| 2 | 2s | 20.623802 | -.01842017 |
| 3 | 3s | 15.111383 | .01701013 |
| 4 | 4s | 61.841804 | -.00038854 |
| 5 | 4s | 8.419649 | .00132124 |
| 6 | 5s | 79.827347 | .00010950 |
| 7 | 5s | 8.664154 | -.00052831 |
| 8 | 2s | 28.527264 | -.00343294 |
| 9 | 2s | 160.543858 | .00000243 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011193 | < 1/R > | 16.562388 | < 1/R**2 > | 553.118527 |
Total Energy= -455.22595999 a.u.
Kinetic Energy= 455.21142544 a.u.
Potential Energy= -910.43738543 a.u.
Virial Ratio = -2.00003193