(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 1.492295 | .48613733 |
| 2 | 4d | .895853 | -2.92756717 |
| 3 | 5d | .856093 | 3.07094839 |
| 4 | 3d | 3.374791 | .15123658 |
| 5 | 4d | 4.579433 | -.04306467 |
| 6 | 5d | 14.145443 | .00079207 |
| 7 | 3d | 11.553608 | .00100023 |
| ORB.ENERGY,a.u. | -.358550 | ||
| NORM | .999996 | < R > | 7.615834 | < R2 > | 65.852350 | < 1/R > | .187000 | < 1/R**2 > | .084118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.978832 | .36071683 |
| 2 | 2p | 1.907112 | -.41467258 |
| 3 | 3p | 2.519274 | -.70634415 |
| 4 | 2p | 9.391906 | .10642744 |
| 5 | 3p | 12.261123 | -.00670196 |
| 6 | 4p | 27.404505 | -.00055520 |
| 7 | 5p | 1.412458 | .00083104 |
| 8 | 3p | 33.064142 | -.00011968 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.459311 | < R2 > | 2.448491 | < 1/R > | .917402 | < 1/R**2 > | 1.849787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.928277 | -.40591767 |
| 2 | 1s | 12.272890 | .20151575 |
| 3 | 1s | 62.586461 | .00008864 |
| 4 | 2s | 5.942680 | -.20850937 |
| 5 | 3s | 2.733710 | 1.06854401 |
| 6 | 4s | 4.642652 | .14487265 |
| 7 | 3s | 36.585936 | -.00058305 |
| 8 | 5s | 2.547565 | .02907594 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.371019 | < R2 > | 2.138625 | < 1/R > | .994609 | < 1/R**2 > | 5.800322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.785715 | .43132822 |
| 2 | 3p | 7.644077 | .51117760 |
| 3 | 5p | 4.450268 | .00560082 |
| 4 | 4p | 6.168505 | .15882655 |
| 5 | 2p | 24.269187 | .00158697 |
| 6 | 5p | 32.546901 | -.00015750 |
| 7 | 3p | 48.806126 | .00003018 |
| 8 | 3p | 1.334110 | .00005759 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404166 | < R2 > | .202470 | < 1/R > | 3.210464 | < 1/R**2 > | 14.345997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.736049 | .37723484 |
| 2 | 2s | 6.941460 | -.76947296 |
| 3 | 3s | 6.360854 | -.16290148 |
| 4 | 4s | 27.657091 | .00177540 |
| 5 | 2s | 4.984131 | -.19719592 |
| 6 | 3s | 17.495698 | .00694382 |
| 7 | 4s | 2.790436 | -.00017587 |
| 8 | 5s | 48.681386 | .00003878 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439831 | < R2 > | .228950 | < 1/R > | 3.327655 | < 1/R**2 > | 45.536952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01105979 |
| 2 | 2s | 20.624557 | -.01841903 |
| 3 | 3s | 15.111014 | .01701053 |
| 4 | 4s | 61.837276 | -.00038850 |
| 5 | 4s | 8.421808 | .00132087 |
| 6 | 5s | 79.836117 | .00010949 |
| 7 | 5s | 8.666798 | -.00052802 |
| 8 | 2s | 28.527264 | -.00343294 |
| 9 | 2s | 160.187457 | .00000244 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011193 | < 1/R > | 16.562370 | < 1/R**2 > | 553.117605 |
Total Energy= -455.22491999 a.u.
Kinetic Energy= 455.22035553 a.u.
Potential Energy= -910.44527552 a.u.
Virial Ratio = -2.00001003