doc/user.4.6/images.pl

5 $key = q/E_{CI+PT}(T=0.001)=-76.277912;MSF=1.6;AAT/;
6 $cached_env_img{$key} = q|<IMG
11 $key = q/displaystylevec{R}_I^{t+Deltat};MSF=1.6;AAT/;
12 $cached_env_img{$key} = q|<IMG
17 $key = q/{displaymath}underline{R}_{link}=(1-g)underline{R}_{1}+g*underline{R}_{2}{displaymath};MSF…
18 $cached_env_img{$key} = q|<IMG
25 $key = q/S_5;MSF=1.6;AAT/;
26 $cached_env_img{$key} = q|<IMG
31 $key = q/displaystylesum_{i,sigma}^{occ}intdvec{r}muleft|dot{psi}_{i,sigma}(vec{r})right|^2;MSF=1.6…
32 $cached_env_img{$key} = q|<IMG
39 $key = q/displaystyleintdvec{r^{prime}}frac{n(vec{r^{prime}})}{|vec{r}-vec{r^{prime}}|}psi_{i,sigma…
40 $cached_env_img{$key} = q|<IMG
47 $key = q/{displaymath}g_i={Deltatovertguide}f_i+left(1-{Deltatovertguide}right)g_{i-1}{displaymath}…
48 $cached_env_img{$key} = q|<IMG
56 $key = q/10^{-7};MSF=1.6;AAT/;
57 $cached_env_img{$key} = q|<IMG
62 $key = q/textstyle+;MSF=1.6;AAT/;
63 $cached_env_img{$key} = q|<IMG
68 $key = q/length;MSF=1.6;AAT/;
69 $cached_env_img{$key} = q|<IMG
74 $key = q/||;MSF=1.6;AAT/;
75 $cached_env_img{$key} = q|<IMG
80 $key = q/T_1;MSF=1.6;AAT/;
81 $cached_env_img{$key} = q|<IMG
86 $key = q/value2;MSF=1.6;AAT/;
87 $cached_env_img{$key} = q|<IMG
92 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineCard&Format&Descriptionfcardsinde…
93 $cached_env_img{$key} = q|<IMG
103 $key = q/ijkr_0;MSF=1.6;AAT/;
104 $cached_env_img{$key} = q|<IMG
109 $key = q/tau_{ionic};MSF=1.6;AAT/;
110 $cached_env_img{$key} = q|<IMG
115 $key = q/E_{CI+PT}=-76.277912;MSF=1.6;AAT/;
116 $cached_env_img{$key} = q|<IMG
121 $key = q/+1;MSF=1.6;AAT/;
122 $cached_env_img{$key} = q|<IMG
127 $key = q/2slash(2l+1);MSF=1.6;AAT/;
128 $cached_env_img{$key} = q|<IMG
133 $key = q/2p;MSF=1.6;AAT/;
134 $cached_env_img{$key} = q|<IMG
139 $key = q/2s;MSF=1.6;AAT/;
140 $cached_env_img{$key} = q|<IMG
145 $key = q/N^3;MSF=1.6;AAT/;
146 $cached_env_img{$key} = q|<IMG
151 $key = q/atom1;MSF=1.6;AAT/;
152 $cached_env_img{$key} = q|<IMG
157 $key = q/displaystyleE_{R0}=frac{1}{2}fk_BT;MSF=1.6;AAT/;
158 $cached_env_img{$key} = q|<IMG
163 $key = q/displaystyle-frac{1}{2}nabla^2psi_{i,sigma}(vec{r});MSF=1.6;AAT/;
164 $cached_env_img{$key} = q|<IMG
170 $key = q/{displaymath}E=E_{total}+frac{1}{2}k(r_{ij}-r_0)^2{displaymath};MSF=1.6;AAT/;
171 $cached_env_img{$key} = q|<IMG
178 $key = q/itag;MSF=1.6;AAT/;
179 $cached_env_img{$key} = q|<IMG
184 $key = q/CH_3CF_3;MSF=1.6;AAT/;
185 $cached_env_img{$key} = q|<IMG
190 $key = q/C_1;MSF=1.6;AAT/;
191 $cached_env_img{$key} = q|<IMG
196 $key = q/C_2'';MSF=1.6;AAT/;
197 $cached_env_img{$key} = q|<IMG
202 $key = q/displaystylepsi_{i,sigma}^{t+Deltat};MSF=1.6;AAT/;
203 $cached_env_img{$key} = q|<IMG
208 $key = q/B^{-};MSF=1.6;AAT/;
209 $cached_env_img{$key} = q|<IMG
214 $key = q/1x10^{-6};MSF=1.6;AAT/;
215 $cached_env_img{$key} = q|<IMG
220 $key = q/alpha=widehat{Cij};MSF=1.6;AAT/;
221 $cached_env_img{$key} = q|<IMG
226 $key = q/CH_2CCH_2;MSF=1.6;AAT/;
227 $cached_env_img{$key} = q|<IMG
232 $key = q/displaystyleELECTRON_THERMOSTAT(x_e);MSF=1.6;AAT/;
233 $cached_env_img{$key} = q|<IMG
238 $key = q/jgroup;MSF=1.6;AAT/;
239 $cached_env_img{$key} = q|<IMG
244 $key = q/10^{-9};MSF=1.6;AAT/;
245 $cached_env_img{$key} = q|<IMG
250 $key = q/D_{inftyh};MSF=1.6;AAT/;
251 $cached_env_img{$key} = q|<IMG
256 $key = q/1x10^{-5};MSF=1.6;AAT/;
257 $cached_env_img{$key} = q|<IMG
262 $key = q/C_2;MSF=1.6;AAT/;
263 $cached_env_img{$key} = q|<IMG
268 $key = q/C_2';MSF=1.6;AAT/;
269 $cached_env_img{$key} = q|<IMG
274 $key = q/tau_e;MSF=1.6;AAT/;
275 $cached_env_img{$key} = q|<IMG
280 $key = q/C_{3h};MSF=1.6;AAT/;
281 $cached_env_img{$key} = q|<IMG
286 $key = q/x_e;MSF=1.6;AAT/;
287 $cached_env_img{$key} = q|<IMG
292 $key = q/+2;MSF=1.6;AAT/;
293 $cached_env_img{$key} = q|<IMG
298 $key = q/sigma_d;MSF=1.6;AAT/;
299 $cached_env_img{$key} = q|<IMG
304 $key = q/displaystyle-frac{partialE}{partialvec{R}_I};MSF=1.6;AAT/;
305 $cached_env_img{$key} = q|<IMG
310 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineDeck&Format&Descriptionforceconst…
311 $cached_env_img{$key} = q|<IMG
321 $key = q/Q_R;MSF=1.6;AAT/;
322 $cached_env_img{$key} = q|<IMG
327 $key = q/E_{CI}=-76.110894;MSF=1.6;AAT/;
328 $cached_env_img{$key} = q|<IMG
333 $key = q/sigma_v;MSF=1.6;AAT/;
334 $cached_env_img{$key} = q|<IMG
339 $key = q/R-CH_3=R-CH_2+H;MSF=1.6;AAT/;
340 $cached_env_img{$key} = q|<IMG
345 $key = q/E_{CI}(T=0.00001)=-76.259818;MSF=1.6;AAT/;
346 $cached_env_img{$key} = q|<IMG
351 $key = q/R-CH_2;MSF=1.6;AAT/;
352 $cached_env_img{$key} = q|<IMG
357 $key = q/10^{-12};MSF=1.6;AAT/;
358 $cached_env_img{$key} = q|<IMG
363 $key = q/^5;MSF=1.6;AAT/;
364 $cached_env_img{$key} = q|<IMG
369 $key = q/n_{lk};MSF=1.6;AAT/;
370 $cached_env_img{$key} = q|<IMG
375 $key = q/k_B;MSF=1.6;AAT/;
376 $cached_env_img{$key} = q|<IMG
381 $key = q/filename;MSF=1.6;AAT/;
382 $cached_env_img{$key} = q|<IMG
387 $key = q/displaystyleT_{ionic}(t)=T_{ionic}^0exp^{-frac{t}{tau_{ionic}}};MSF=1.6;AAT/;
388 $cached_env_img{$key} = q|<IMG
393 $key = q/displaystylehat{H}psi_{i,sigma};MSF=1.6;AAT/;
394 $cached_env_img{$key} = q|<IMG
399 $key = q/T_3;MSF=1.6;AAT/;
400 $cached_env_img{$key} = q|<IMG
405 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineDeck&Format&Descriptionbilityslas…
406 $cached_env_img{$key} = q|<IMG
416 $key = q/displaystyleT_e(t)=T_e^0exp^{-frac{t}{tau_e}};MSF=1.6;AAT/;
417 $cached_env_img{$key} = q|<IMG
422 $key = q/displaystyleM_Iddot{vec{R}}_I;MSF=1.6;AAT/;
423 $cached_env_img{$key} = q|<IMG
428 $key = q/y;MSF=1.6;AAT/;
429 $cached_env_img{$key} = q|<IMG
434 $key = q/0.001e;MSF=1.6;AAT/;
435 $cached_env_img{$key} = q|<IMG
440 $key = q/{displaymath}f_i=f^{f}_i+fguide*g_{i-1}{displaymath};MSF=1.6;AAT/;
441 $cached_env_img{$key} = q|<IMG
448 $key = q/C_{s};MSF=1.6;AAT/;
449 $cached_env_img{$key} = q|<IMG
454 $key = q/H_3C-CHO;MSF=1.6;AAT/;
455 $cached_env_img{$key} = q|<IMG
460 $key = q/alpha;MSF=1.6;AAT/;
461 $cached_env_img{$key} = q|<IMG
466 $key = q/frac{l}{2l+1}DeltaU_{l};MSF=1.6;AAT/;
467 $cached_env_img{$key} = q|<IMG
472 $key = q/displaystyleintdvec{r^{prime}}W_{ext}(vec{r},vec{r^{prime}})psi_{i,sigma}(vec{r^{prime}});…
473 $cached_env_img{$key} = q|<IMG
480 $key = q/({<batchjsize>}times{vir});MSF=1.6;AAT/;
481 $cached_env_img{$key} = q|<IMG
486 $key = q/T_4;MSF=1.6;AAT/;
487 $cached_env_img{$key} = q|<IMG
492 $key = q/displaystyleE_{e0}=4k_BTfrac{mu}{M}sum_i<psi_i|-frac{1}{2}nabla^2|psi_i>;MSF=1.6;AAT/;
493 $cached_env_img{$key} = q|<IMG
498 $key = q/{displaymath}U^{{rm{AREP}_l(r)=frac{1}{2l+1}left[lU^{{rm{REP}_{l-1slash2}(r)+(l+1)U^{{rm{R…
499 $cached_env_img{$key} = q|<IMG
507 $key = q/C_{3v};MSF=1.6;AAT/;
508 $cached_env_img{$key} = q|<IMG
513 $key = q/D_{5h};MSF=1.6;AAT/;
514 $cached_env_img{$key} = q|<IMG
519 $key = q/Rh(CO)_2^+;MSF=1.6;AAT/;
520 $cached_env_img{$key} = q|<IMG
525 $key = q/displaystylemu_{xc}^{sigma}(vec{r})psi_{i,sigma}(vec{r});MSF=1.6;AAT/;
526 $cached_env_img{$key} = q|<IMG
532 $key = q/Gamma;MSF=1.6;AAT/;
533 $cached_env_img{$key} = q|<IMG
538 $key = q/value1;MSF=1.6;AAT/;
539 $cached_env_img{$key} = q|<IMG
544 $key = q/BO_3H_3;MSF=1.6;AAT/;
545 $cached_env_img{$key} = q|<IMG
550 $key = q/frac{deltaE}{deltapsi_{i,sigma}^{*}};MSF=1.6;AAT/;
551 $cached_env_img{$key} = q|<IMG
556 $key = q/N^4;MSF=1.6;AAT/;
557 $cached_env_img{$key} = q|<IMG
562 $key = q/10^{-10};MSF=1.6;AAT/;
563 $cached_env_img{$key} = q|<IMG
568 $key = q/alpha=beta=gamma=90^o;MSF=1.6;AAT/;
569 $cached_env_img{$key} = q|<IMG
574 $key = q/Q_e;MSF=1.6;AAT/;
575 $cached_env_img{$key} = q|<IMG
580 $key = q/C_{2{{it{v}};MSF=1.6;AAT/;
581 $cached_env_img{$key} = q|<IMG
586 $key = q/C_5;MSF=1.6;AAT/;
587 $cached_env_img{$key} = q|<IMG
592 $key = q/C_3;MSF=1.6;AAT/;
593 $cached_env_img{$key} = q|<IMG
598 $key = q/z;MSF=1.6;AAT/;
599 $cached_env_img{$key} = q|<IMG
604 $key = q/C_{2h};MSF=1.6;AAT/;
605 $cached_env_img{$key} = q|<IMG
610 $key = q/{displaymath}W=left{array{{c}Nmbox{,8-bitlabelsand32-bitvalues}frac{3}{2}Nmbox{,values}2Nm…
611 $cached_env_img{$key} = q|<IMG
622 $key = q/T_{sync};MSF=1.6;AAT/;
623 $cached_env_img{$key} = q|<IMG
628 $key = q/E_{CI}(T=0.001)=-76.110894;MSF=1.6;AAT/;
629 $cached_env_img{$key} = q|<IMG
634 $key = q/{displaymath}DeltaU^{{rm{REP}_{l}=U^{{rm{REP}_{l+1slash2}(r)-U^{{rm{REP}_{l-1slash2}(r).{d…
635 $cached_env_img{$key} = q|<IMG
643 $key = q/<=;MSF=1.6;AAT/;
644 $cached_env_img{$key} = q|<IMG
649 $key = q/LiH^{2+};MSF=1.6;AAT/;
650 $cached_env_img{$key} = q|<IMG
655 $key = q/H_2;MSF=1.6;AAT/;
656 $cached_env_img{$key} = q|<IMG
661 $key = q/0<alpha<180;MSF=1.6;AAT/;
662 $cached_env_img{$key} = q|<IMG
667 $key = q/vec{R}_I;MSF=1.6;AAT/;
668 $cached_env_img{$key} = q|<IMG
673 $key = q/T;MSF=1.6;AAT/;
674 $cached_env_img{$key} = q|<IMG
679 $key = q/Lambda;MSF=1.6;AAT/;
680 $cached_env_img{$key} = q|<IMG
685 $key = q/s;MSF=1.6;AAT/;
686 $cached_env_img{$key} = q|<IMG
691 $key = q/Delta;MSF=1.6;AAT/;
692 $cached_env_img{$key} = q|<IMG
697 $key = q/DeltaG^{*};MSF=1.6;AAT/;
698 $cached_env_img{$key} = q|<IMG
703 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineCard&Format&Descriptiongesegmentr…
704 $cached_env_img{$key} = q|<IMG
714 $key = q/Deltat;MSF=1.6;AAT/;
715 $cached_env_img{$key} = q|<IMG
720 $key = q/displaystylemuddot{psi}_{i,sigma}(vec{r},t);MSF=1.6;AAT/;
721 $cached_env_img{$key} = q|<IMG
726 $key = q/T_{ionic}^0;MSF=1.6;AAT/;
727 $cached_env_img{$key} = q|<IMG
732 $key = q/rho_{semicore};MSF=1.6;AAT/;
733 $cached_env_img{$key} = q|<IMG
738 $key = q/B;MSF=1.6;AAT/;
739 $cached_env_img{$key} = q|<IMG
744 $key = q/P_{electron};MSF=1.6;AAT/;
745 $cached_env_img{$key} = q|<IMG
750 $key = q/H+H_2;MSF=1.6;AAT/;
751 $cached_env_img{$key} = q|<IMG
756 $key = q/displaystyleL;MSF=1.6;AAT/;
757 $cached_env_img{$key} = q|<IMG
762 $key = q/E_{CI+PT}=-76.276418;MSF=1.6;AAT/;
763 $cached_env_img{$key} = q|<IMG
768 $key = q/displaystyleP_{ion};MSF=1.6;AAT/;
769 $cached_env_img{$key} = q|<IMG
774 $key = q/rightarrow;MSF=1.6;AAT/;
775 $cached_env_img{$key} = q|<IMG
780 $key = q/10^{-4};MSF=1.6;AAT/;
781 $cached_env_img{$key} = q|<IMG
786 $key = q/*;MSF=1.6;AAT/;
787 $cached_env_img{$key} = q|<IMG
792 $key = q/A;MSF=1.6;AAT/;
793 $cached_env_img{$key} = q|<IMG
798 $key = q/U^{{rm{REP}_{lj};MSF=1.6;AAT/;
799 $cached_env_img{$key} = q|<IMG
804 $key = q/displaystylefrac{1}{2}Q_Rdot{x_R}+E_{R0}x_R;MSF=1.6;AAT/;
805 $cached_env_img{$key} = q|<IMG
810 $key = q/alpha^2;MSF=1.6;AAT/;
811 $cached_env_img{$key} = q|<IMG
816 $key = q/idef;MSF=1.6;AAT/;
817 $cached_env_img{$key} = q|<IMG
822 $key = q/f^{f};MSF=1.6;AAT/;
823 $cached_env_img{$key} = q|<IMG
828 $key = q/itest;MSF=1.6;AAT/;
829 $cached_env_img{$key} = q|<IMG
834 $key = q/10^{-6};MSF=1.6;AAT/;
835 $cached_env_img{$key} = q|<IMG
840 $key = q/sum_i<psi_i|-frac{1}{2}nabla^2|psi_i>;MSF=1.6;AAT/;
841 $cached_env_img{$key} = q|<IMG
846 $key = q/W;MSF=1.6;AAT/;
847 $cached_env_img{$key} = q|<IMG
852 $key = q/1x10^{-7};MSF=1.6;AAT/;
853 $cached_env_img{$key} = q|<IMG
858 $key = q/V_{RP};MSF=1.6;AAT/;
859 $cached_env_img{$key} = q|<IMG
864 $key = q/T_{electron};MSF=1.6;AAT/;
865 $cached_env_img{$key} = q|<IMG
870 $key = q/(LL|SS);MSF=1.6;AAT/;
871 $cached_env_img{$key} = q|<IMG
876 $key = q/forc2;MSF=1.6;AAT/;
877 $cached_env_img{$key} = q|<IMG
882 $key = q/P_{ion};MSF=1.6;AAT/;
883 $cached_env_img{$key} = q|<IMG
888 $key = q/mu;MSF=1.6;AAT/;
889 $cached_env_img{$key} = q|<IMG
894 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineDeck&Format&Descriptionlforcecons…
895 $cached_env_img{$key} = q|<IMG
905 $key = q/epsilon;MSF=1.6;AAT/;
906 $cached_env_img{$key} = q|<IMG
911 $key = q/widehat{Cik};MSF=1.6;AAT/;
912 $cached_env_img{$key} = q|<IMG
917 $key = q/P;MSF=1.6;AAT/;
918 $cached_env_img{$key} = q|<IMG
923 $key = q/sigma;MSF=1.6;AAT/;
924 $cached_env_img{$key} = q|<IMG
929 $key = q/IANGQUAD;MSF=1.6;AAT/;
930 $cached_env_img{$key} = q|<IMG
935 $key = q/M_I;MSF=1.6;AAT/;
936 $cached_env_img{$key} = q|<IMG
941 $key = q/L;MSF=1.6;AAT/;
942 $cached_env_img{$key} = q|<IMG
947 $key = q/n_p;MSF=1.6;AAT/;
948 $cached_env_img{$key} = q|<IMG
953 $key = q/<;MSF=1.6;AAT/;
954 $cached_env_img{$key} = q|<IMG
959 $key = q/{displaymath}H^{{rm{SO}={{bf{s}cdotsum_{l=1}^{L-1}frac{2}{2l+1}DeltaU^{{rm{REP}_{l}sum_{mm…
960 $cached_env_img{$key} = q|<IMG
969 $key = q/0.01;MSF=1.6;AAT/;
970 $cached_env_img{$key} = q|<IMG
975 $key = q/10.0;MSF=1.6;AAT/;
976 $cached_env_img{$key} = q|<IMG
981 $key = q/0.005au;MSF=1.6;AAT/;
982 $cached_env_img{$key} = q|<IMG
987 $key = q/{figure}{centering{{psfig{figure=zmat1.eps,angle=270,width=6in}{{{{figure};FSF=1.6;AAT/;
988 $cached_env_img{$key} = q|<IMG
993 $key = q/tau_{electron};MSF=1.6;AAT/;
994 $cached_env_img{$key} = q|<IMG
999 $key = q/star;MSF=1.6;AAT/;
1000 $cached_env_img{$key} = q|<IMG
1005 $key = q/D_{4h};MSF=1.6;AAT/;
1006 $cached_env_img{$key} = q|<IMG
1011 $key = q/{displaymath}U^{{rm{REP}=U^{{rm{REP}_{LJ}(r)+sum_{l=0}^{L-1}sum_{j=|l-1slash2}^{}(r)-U^{{r…
1012 $cached_env_img{$key} = q|<IMG
1021 $key = q/{figure}{centering{{psfig{figure=zmat2.eps,angle=270,width=6in}{{{{figure};FSF=1.6;AAT/;
1022 $cached_env_img{$key} = q|<IMG
1027 $key = q/O_{h};MSF=1.6;AAT/;
1028 $cached_env_img{$key} = q|<IMG
1033 $key = q/tag;MSF=1.6;AAT/;
1034 $cached_env_img{$key} = q|<IMG
1039 $key = q/R;MSF=1.6;AAT/;
1040 $cached_env_img{$key} = q|<IMG
1045 $key = q/r^{-2};MSF=1.6;AAT/;
1046 $cached_env_img{$key} = q|<IMG
1051 $key = q/rho_{core};MSF=1.6;AAT/;
1052 $cached_env_img{$key} = q|<IMG
1057 $key = q/C_s;MSF=1.6;AAT/;
1058 $cached_env_img{$key} = q|<IMG
1063 $key = q/1.8897265;MSF=1.6;AAT/;
1064 $cached_env_img{$key} = q|<IMG
1069 $key = q/({<batchisize>}times{vir});MSF=1.6;AAT/;
1070 $cached_env_img{$key} = q|<IMG
1076 $key = q/n_{lk}=0;MSF=1.6;AAT/;
1077 $cached_env_img{$key} = q|<IMG
1082 $key = q/B_2;MSF=1.6;AAT/;
1083 $cached_env_img{$key} = q|<IMG
1088 $key = q/^{-2};MSF=1.6;AAT/;
1089 $cached_env_img{$key} = q|<IMG
1094 $key = q/E_{CI+PT}=-76.304797;MSF=1.6;AAT/;
1095 $cached_env_img{$key} = q|<IMG
1100 $key = q/n;MSF=1.6;AAT/;
1101 $cached_env_img{$key} = q|<IMG
1106 $key = q/beta;MSF=1.6;AAT/;
1107 $cached_env_img{$key} = q|<IMG
1112 $key = q/(-2||-1||1||2);MSF=1.6;AAT/;
1113 $cached_env_img{$key} = q|<IMG
1118 $key = q/Lambda_{ij,sigma};MSF=1.6;AAT/;
1119 $cached_env_img{$key} = q|<IMG
1124 $key = q/displaystylefrac{1}{2}Q_edot{x_e}+E_{e0}x_e;MSF=1.6;AAT/;
1125 $cached_env_img{$key} = q|<IMG
1130 $key = q/displaystyle2pisqrt{frac{Q_R}{4E_{R0}}};MSF=1.6;AAT/;
1131 $cached_env_img{$key} = q|<IMG
1136 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineCard&Format&Descriptionrturbation…
1137 $cached_env_img{$key} = q|<IMG
1147 $key = q/T_d;MSF=1.6;AAT/;
1148 $cached_env_img{$key} = q|<IMG
1153 $key = q/{displaymath}r^2U_l(r)=sum_{k}A_{lk}r^{n_{lk}}e^{-B_{lk}r^{2}}{displaymath};MSF=1.6;AAT/;
1154 $cached_env_img{$key} = q|<IMG
1161 $key = q/r_{cut}(l);MSF=1.6;AAT/;
1162 $cached_env_img{$key} = q|<IMG
1167 $key = q/D_{3h};MSF=1.6;AAT/;
1168 $cached_env_img{$key} = q|<IMG
1173 $key = q/p;MSF=1.6;AAT/;
1174 $cached_env_img{$key} = q|<IMG
1179 $key = q/T_e^0;MSF=1.6;AAT/;
1180 $cached_env_img{$key} = q|<IMG
1185 $key = q/(epsilon-1)slashepsilon;MSF=1.6;AAT/;
1186 $cached_env_img{$key} = q|<IMG
1191 $key = q/textstyle=;MSF=1.6;AAT/;
1192 $cached_env_img{$key} = q|<IMG
1197 $key = q/(epsilon-1)slash(epsilon+1slash2);MSF=1.6;AAT/;
1198 $cached_env_img{$key} = q|<IMG
1203 $key = q/N_{model};MSF=1.6;AAT/;
1204 $cached_env_img{$key} = q|<IMG
1209 $key = q/Si(OH)_2;MSF=1.6;AAT/;
1210 $cached_env_img{$key} = q|<IMG
1215 $key = q/C_{2v};MSF=1.6;AAT/;
1216 $cached_env_img{$key} = q|<IMG
1221 $key = q/SF_5Cl;MSF=1.6;AAT/;
1222 $cached_env_img{$key} = q|<IMG
1227 $key = q/10^{(-{{tt{accCoul})};MSF=1.6;AAT/;
1228 $cached_env_img{$key} = q|<IMG
1233 $key = q/displaystyleION_THERMOSTAT(x_R);MSF=1.6;AAT/;
1234 $cached_env_img{$key} = q|<IMG
1239 $key = q/10^{-3};MSF=1.6;AAT/;
1240 $cached_env_img{$key} = q|<IMG
1245 $key = q/D_{5d};MSF=1.6;AAT/;
1246 $cached_env_img{$key} = q|<IMG
1251 $key = q/(67)(78)(89);MSF=1.6;AAT/;
1252 $cached_env_img{$key} = q|<IMG
1257 $key = q/1x10^{-4};MSF=1.6;AAT/;
1258 $cached_env_img{$key} = q|<IMG
1263 $key = q/O(N^4);MSF=1.6;AAT/;
1264 $cached_env_img{$key} = q|<IMG
1269 $key = q/E_{CI+PT}=-76.273751;MSF=1.6;AAT/;
1270 $cached_env_img{$key} = q|<IMG
1275 $key = q/N_{inter};MSF=1.6;AAT/;
1276 $cached_env_img{$key} = q|<IMG
1281 $key = q/>;MSF=1.6;AAT/;
1282 $cached_env_img{$key} = q|<IMG
1287 $key = q/s<0;MSF=1.6;AAT/;
1288 $cached_env_img{$key} = q|<IMG
1293 $key = q/S_4;MSF=1.6;AAT/;
1294 $cached_env_img{$key} = q|<IMG
1299 $key = q/rho^{1slash3};MSF=1.6;AAT/;
1300 $cached_env_img{$key} = q|<IMG
1305 $key = q/^2;MSF=1.6;AAT/;
1306 $cached_env_img{$key} = q|<IMG
1311 $key = q/CH_4;MSF=1.6;AAT/;
1312 $cached_env_img{$key} = q|<IMG
1317 $key = q/CHO;MSF=1.6;AAT/;
1318 $cached_env_img{$key} = q|<IMG
1323 $key = q/{displaymath}{k_{ET}}=frac{2pi}{hbar}V_{RP}^{2}frac{1}{sqrt{4pilambdak_{B}T}}expleft(frac{…
1324 $cached_env_img{$key} = q|<IMG
1336 $key = q/He_{};MSF=1.6;AAT/;
1337 $cached_env_img{$key} = q|<IMG
1342 $key = q/B_1;MSF=1.6;AAT/;
1343 $cached_env_img{$key} = q|<IMG
1348 $key = q/C_4;MSF=1.6;AAT/;
1349 $cached_env_img{$key} = q|<IMG
1354 $key = q/({occ}{vir}|{fit});MSF=1.6;AAT/;
1355 $cached_env_img{$key} = q|<IMG
1360 $key = q/d;MSF=1.6;AAT/;
1361 $cached_env_img{$key} = q|<IMG
1366 $key = q/function;MSF=1.6;AAT/;
1367 $cached_env_img{$key} = q|<IMG
1372 $key = q/^3B_2;MSF=1.6;AAT/;
1373 $cached_env_img{$key} = q|<IMG
1378 $key = q/P1;MSF=1.6;AAT/;
1379 $cached_env_img{$key} = q|<IMG
1384 $key = q/displaystyle2pisqrt{frac{Q_e}{4E_{e0}}};MSF=1.6;AAT/;
1385 $cached_env_img{$key} = q|<IMG
1390 $key = q/pm1;MSF=1.6;AAT/;
1391 $cached_env_img{$key} = q|<IMG
1396 $key = q/{eqnarraystar}w_A(r)&=&prod_{BneqA}frac{1}{2}left[1-erf(mu^prime_{AB})right]mu^pmathbfr}_B…
1397 $cached_env_img{$key} = q|<IMG
1407 $key = q/CH_3-CH_3;MSF=1.6;AAT/;
1408 $cached_env_img{$key} = q|<IMG
1413 $key = q/0.1e;MSF=1.6;AAT/;
1414 $cached_env_img{$key} = q|<IMG
1419 $key = q/T_2;MSF=1.6;AAT/;
1420 $cached_env_img{$key} = q|<IMG
1425 $key = q/ipbc;MSF=1.6;AAT/;
1426 $cached_env_img{$key} = q|<IMG
1431 $key = q/gamma;MSF=1.6;AAT/;
1432 $cached_env_img{$key} = q|<IMG
1437 $key = q/f;MSF=1.6;AAT/;
1438 $cached_env_img{$key} = q|<IMG
1443 $key = q/R_{Ci};MSF=1.6;AAT/;
1444 $cached_env_img{$key} = q|<IMG
1449 $key = q/_epsilon;MSF=1.6;AAT/;
1450 $cached_env_img{$key} = q|<IMG
1455 $key = q/-1;MSF=1.6;AAT/;
1456 $cached_env_img{$key} = q|<IMG
1461 $key = q/(6789);MSF=1.6;AAT/;
1462 $cached_env_img{$key} = q|<IMG
1467 $key = q/psi_{i,sigma}(vec{r});MSF=1.6;AAT/;
1468 $cached_env_img{$key} = q|<IMG
1473 $key = q/1.084slash1.528approx0.709;MSF=1.6;AAT/;
1474 $cached_env_img{$key} = q|<IMG
1480 $key = q/{displaymath}left(1-factld*{{T_{sync}overn_p}-t^{min}_{sync}overt_{wall}}right)^{1over3}{d…
1481 $cached_env_img{$key} = q|<IMG
1489 $key = q/displaystyle2vec{R}_I^{t}-vec{R}_I^{t-Deltat}+frac{(Deltat)^2}{M_I}frac{partialE}{partialv…
1490 $cached_env_img{$key} = q|<IMG
1497 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineCard&Format&DescriptionvsII-6-4&3…
1498 $cached_env_img{$key} = q|<IMG
1508 $key = q/H-CHO;MSF=1.6;AAT/;
1509 $cached_env_img{$key} = q|<IMG
1514 $key = q/D_{3d};MSF=1.6;AAT/;
1515 $cached_env_img{$key} = q|<IMG
1520 $key = q/x_R;MSF=1.6;AAT/;
1521 $cached_env_img{$key} = q|<IMG
1526 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineCard&Format&DescriptionII-1-1&4(1…
1527 $cached_env_img{$key} = q|<IMG
1537 $key = q/mathrm{UO_2};MSF=1.6;AAT/;
1538 $cached_env_img{$key} = q|<IMG
1543 $key = q/t^{min}_{sync};MSF=1.6;AAT/;
1544 $cached_env_img{$key} = q|<IMG
1549 $key = q/M;MSF=1.6;AAT/;
1550 $cached_env_img{$key} = q|<IMG
1555 $key = q/2slash(2{l}+1);MSF=1.6;AAT/;
1556 $cached_env_img{$key} = q|<IMG
1561 $key = q/_2;MSF=1.6;AAT/;
1562 $cached_env_img{$key} = q|<IMG
1567 $key = q/psi;MSF=1.6;AAT/;
1568 $cached_env_img{$key} = q|<IMG
1573 $key = q/LiH^+;MSF=1.6;AAT/;
1574 $cached_env_img{$key} = q|<IMG
1579 $key = q/dist2;MSF=1.6;AAT/;
1580 $cached_env_img{$key} = q|<IMG
1585 $key = q/1s^22s^22p^6;MSF=1.6;AAT/;
1586 $cached_env_img{$key} = q|<IMG
1591 $key = q/r_{{rm{RMS}=0.836*A^{1slash3}+0.57;MSF=1.6;AAT/;
1592 $cached_env_img{$key} = q|<IMG
1597 $key = q/i;MSF=1.6;AAT/;
1598 $cached_env_img{$key} = q|<IMG
1603 $key = q/^{-1};MSF=1.6;AAT/;
1604 $cached_env_img{$key} = q|<IMG
1609 $key = q/E_{CI+PT}(T=0.0001)=-76.274073;MSF=1.6;AAT/;
1610 $cached_env_img{$key} = q|<IMG
1615 $key = q/displaystyleKE({psi_{i,sigma}(vec{r})});MSF=1.6;AAT/;
1616 $cached_env_img{$key} = q|<IMG
1621 $key = q/equiv;MSF=1.6;AAT/;
1622 $cached_env_img{$key} = q|<IMG
1627 $key = q/nm;MSF=1.6;AAT/;
1628 $cached_env_img{$key} = q|<IMG
1633 $key = q/frac{MIN(left|vec{a_i}right|)}{pi},i=1,2,3;MSF=1.6;AAT/;
1634 $cached_env_img{$key} = q|<IMG
1639 $key = q/sigmacdot{{bf{p}slash2mc;MSF=1.6;AAT/;
1640 $cached_env_img{$key} = q|<IMG
1645 $key = q/x;MSF=1.6;AAT/;
1646 $cached_env_img{$key} = q|<IMG
1651 $key = q/h;MSF=1.6;AAT/;
1652 $cached_env_img{$key} = q|<IMG
1657 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineDeck&Format&DescriptionI-2-5&i5&n…
1658 $cached_env_img{$key} = q|<IMG
1668 $key = q/<batchisize><batchjsize>{vir}^2;MSF=1.6;AAT/;
1669 $cached_env_img{$key} = q|<IMG
1675 $key = q/A^{-};MSF=1.6;AAT/;
1676 $cached_env_img{$key} = q|<IMG
1681 $key = q/fguide;MSF=1.6;AAT/;
1682 $cached_env_img{$key} = q|<IMG
1687 $key = q/_2^{2+};MSF=1.6;AAT/;
1688 $cached_env_img{$key} = q|<IMG
1693 $key = q/-2;MSF=1.6;AAT/;
1694 $cached_env_img{$key} = q|<IMG
1699 $key = q/1x10^{-8};MSF=1.6;AAT/;
1700 $cached_env_img{$key} = q|<IMG
1705 $key = q/displaystylerho_{semicore}(r)=left{array{{ll}rho_{core}<col_mark><mbox_mark>{if{4+c_5r^5+c…
1706 $cached_env_img{$key} = q|<IMG
1714 $key = q/factld;MSF=1.6;AAT/;
1715 $cached_env_img{$key} = q|<IMG
1720 $key = q/D_{2d};MSF=1.6;AAT/;
1721 $cached_env_img{$key} = q|<IMG
1726 $key = q/j;MSF=1.6;AAT/;
1727 $cached_env_img{$key} = q|<IMG
1732 $key = q/idebug;MSF=1.6;AAT/;
1733 $cached_env_img{$key} = q|<IMG
1738 $key = q/g;MSF=1.6;AAT/;
1739 $cached_env_img{$key} = q|<IMG
1744 $key = q/d^5;MSF=1.6;AAT/;
1745 $cached_env_img{$key} = q|<IMG
1750 $key = q/{displaymath}DeltaU^{{rm{NWChem}_{l}=frac{2}{2l+1}DeltaU_{l}{displaymath};MSF=1.6;AAT/;
1751 $cached_env_img{$key} = q|<IMG
1758 $key = q/OH+H_2;MSF=1.6;AAT/;
1759 $cached_env_img{$key} = q|<IMG
1764 $key = q/{eqnarraystar}E_{XC}approxfrac{1}{2}E^{{rm{HF}_X+frac{1}{2}E^{{rm{Slater}_{X}+frac{1}{2}E^…
1765 $cached_env_img{$key} = q|<IMG
1772 $key = q/lambda;MSF=1.6;AAT/;
1773 $cached_env_img{$key} = q|<IMG
1778 $key = q/A_{ia,jb}=4delta_{ij}delta_{ab}(epsilon_a-epsilon_i);MSF=1.6;AAT/;
1779 $cached_env_img{$key} = q|<IMG
1785 $key = q/LiH;MSF=1.6;AAT/;
1786 $cached_env_img{$key} = q|<IMG
1791 $key = q/k;MSF=1.6;AAT/;
1792 $cached_env_img{$key} = q|<IMG
1797 $key = q/_delta;MSF=1.6;AAT/;
1798 $cached_env_img{$key} = q|<IMG
1803 $key = q/I_h;MSF=1.6;AAT/;
1804 $cached_env_img{$key} = q|<IMG
1809 $key = q/{eqnarraystar}E_{XC}&=&a_0E^{{rm{HF}_X+(1-a_0)E^{{rm{Slater}_{X}+a_XDeltaE^{{rm{LYP}_C&&{{…
1810 $cached_env_img{$key} = q|<IMG
1820 $key = q/S_{RP};MSF=1.6;AAT/;
1821 $cached_env_img{$key} = q|<IMG
1826 $key = q/10^{-11};MSF=1.6;AAT/;
1827 $cached_env_img{$key} = q|<IMG
1832 $key = q/{center}vbox{input{titlepage}}{center};AAT/;
1833 $cached_env_img{$key} = q|<IMG
1839 $key = q/dist1;MSF=1.6;AAT/;
1840 $cached_env_img{$key} = q|<IMG
1845 $key = q/He^{+};MSF=1.6;AAT/;
1846 $cached_env_img{$key} = q|<IMG
1851 $key = q/phi;MSF=1.6;AAT/;
1852 $cached_env_img{$key} = q|<IMG
1857 $key = q/l;MSF=1.6;AAT/;
1858 $cached_env_img{$key} = q|<IMG
1863 $key = q/(SS|SS);MSF=1.6;AAT/;
1864 $cached_env_img{$key} = q|<IMG
1869 $key = q/rtag;MSF=1.6;AAT/;
1870 $cached_env_img{$key} = q|<IMG
1875 $key = q/C_{4v};MSF=1.6;AAT/;
1876 $cached_env_img{$key} = q|<IMG
1881 $key = q/sp;MSF=1.6;AAT/;
1882 $cached_env_img{$key} = q|<IMG
1887 $key = q/{figure}{centering{{psfig{figure=zmat3.eps,angle=270,width=6in}{{{{figure};FSF=1.6;AAT/;
1888 $cached_env_img{$key} = q|<IMG
1893 $key = q/E_{CI}=-76.228419;MSF=1.6;AAT/;
1894 $cached_env_img{$key} = q|<IMG
1899 $key = q/r_0;MSF=1.6;AAT/;
1900 $cached_env_img{$key} = q|<IMG
1905 $key = q/10^{-8};MSF=1.6;AAT/;
1906 $cached_env_img{$key} = q|<IMG
1911 $key = q/A_{lk};MSF=1.6;AAT/;
1912 $cached_env_img{$key} = q|<IMG
1917 $key = q/displaystyleP_{electron};MSF=1.6;AAT/;
1918 $cached_env_img{$key} = q|<IMG
1923 $key = q/R-CH_3;MSF=1.6;AAT/;
1924 $cached_env_img{$key} = q|<IMG
1929 $key = q/sigma_h;MSF=1.6;AAT/;
1930 $cached_env_img{$key} = q|<IMG
1935 $key = q/widehat{ijk};MSF=1.6;AAT/;
1936 $cached_env_img{$key} = q|<IMG
1941 $key = q/DeltaU_{l};MSF=1.6;AAT/;
1942 $cached_env_img{$key} = q|<IMG
1947 $key = q/T_{ion};MSF=1.6;AAT/;
1948 $cached_env_img{$key} = q|<IMG
1953 $key = q/N;MSF=1.6;AAT/;
1954 $cached_env_img{$key} = q|<IMG
1959 $key = q/textstyleleftarrow;MSF=1.6;AAT/;
1960 $cached_env_img{$key} = q|<IMG
1965 $key = q/R=CH_3;MSF=1.6;AAT/;
1966 $cached_env_img{$key} = q|<IMG
1971 $key = q/D_{2h};MSF=1.6;AAT/;
1972 $cached_env_img{$key} = q|<IMG
1977 $key = q/igroup;MSF=1.6;AAT/;
1978 $cached_env_img{$key} = q|<IMG
1983 $key = q/beta=widehat{Cik};MSF=1.6;AAT/;
1984 $cached_env_img{$key} = q|<IMG
1989 $key = q/displaystylefrac{deltaE}{deltapsi_{i,sigma}^{*}};MSF=1.6;AAT/;
1990 $cached_env_img{$key} = q|<IMG
1995 $key = q/E_{CI+PT}(T=0.00001)=-76.276478;MSF=1.6;AAT/;
1996 $cached_env_img{$key} = q|<IMG
2001 $key = q/2slash{l};MSF=1.6;AAT/;
2002 $cached_env_img{$key} = q|<IMG
2007 $key = q/CH_3-CH_2;MSF=1.6;AAT/;
2008 $cached_env_img{$key} = q|<IMG
2013 $key = q/{<batchsize>}times{vir}times{fit};MSF=1.6;AAT/;
2014 $cached_env_img{$key} = q|<IMG
2019 $key = q/psi_{i,sigma}^{t+Deltat};MSF=1.6;AAT/;
2020 $cached_env_img{$key} = q|<IMG
2025 $key = q/alpha^4;MSF=1.6;AAT/;
2026 $cached_env_img{$key} = q|<IMG
2031 $key = q/displaystyle+sum_{ij,sigma}Lambda_{ij,sigma}left(intdvec{r}psi_{i,sigma}^{*}(vec{r})psi_{j…
2032 $cached_env_img{$key} = q|<IMG
2039 $key = q/B_{lk};MSF=1.6;AAT/;
2040 $cached_env_img{$key} = q|<IMG
2045 $key = q/s>0;MSF=1.6;AAT/;
2046 $cached_env_img{$key} = q|<IMG
2051 $key = q/displaystyle2psi_{i,sigma}^{t}-psi_{i,sigma}^{t-Deltat}+frac{(Deltat)^2}{mu}lefttapsi_{i,s…
2052 $cached_env_img{$key} = q|<IMG
2061 $key = q/atom2;MSF=1.6;AAT/;
2062 $cached_env_img{$key} = q|<IMG
2067 $key = q/0.001au;MSF=1.6;AAT/;
2068 $cached_env_img{$key} = q|<IMG
2073 $key = q/E_{CI}=-76.041983;MSF=1.6;AAT/;
2074 $cached_env_img{$key} = q|<IMG
2079 $key = q/+;MSF=1.6;AAT/;
2080 $cached_env_img{$key} = q|<IMG
2085 $key = q/dist3;MSF=1.6;AAT/;
2086 $cached_env_img{$key} = q|<IMG
2091 $key = q/N_{angular};MSF=1.6;AAT/;
2092 $cached_env_img{$key} = q|<IMG
2097 $key = q/rval;MSF=1.6;AAT/;
2098 $cached_env_img{$key} = q|<IMG
2103 $key = q/displaystylesum_{i,sigma}^{occ}intdvec{r}muleft|dot{psi}_{i,sigma}(vec{r})right||^2-Eleft[…
2104 $cached_env_img{$key} = q|<IMG
2111 $key = q/2H_2+C_2H_4rightarrow2CH_4;MSF=1.6;AAT/;
2112 $cached_env_img{$key} = q|<IMG
2117 $key = q/E_{CI}=-76.259285;MSF=1.6;AAT/;
2118 $cached_env_img{$key} = q|<IMG
2123 $key = q/E_{CI}(T=0.0001)=-76.2300544;MSF=1.6;AAT/;
2124 $cached_env_img{$key} = q|<IMG
2129 $key = q/C_6;MSF=1.6;AAT/;
2130 $cached_env_img{$key} = q|<IMG
2135 $key = q/textstyleequiv;MSF=1.6;AAT/;
2136 $cached_env_img{$key} = q|<IMG
2141 $key = q/jatag;MSF=1.6;AAT/;
2142 $cached_env_img{$key} = q|<IMG
2147 $key = q/D_{6h};MSF=1.6;AAT/;
2148 $cached_env_img{$key} = q|<IMG
2153 $key = q/0.1;MSF=1.6;AAT/;
2154 $cached_env_img{$key} = q|<IMG
2159 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineDeck&Format&Description&angleforc…
2160 $cached_env_img{$key} = q|<IMG
2170 $key = q/iatag;MSF=1.6;AAT/;
2171 $cached_env_img{$key} = q|<IMG
2176 $key = q/K^{+}(H_2O);MSF=1.6;AAT/;
2177 $cached_env_img{$key} = q|<IMG
2182 $key = q/displaystyle-frac{deltaE}{deltapsi_{i,sigma}^{*}left(vec{r},tright)}+sumlimits_jLambda_{ij…
2183 $cached_env_img{$key} = q|<IMG
2191 $key = q/forc1;MSF=1.6;AAT/;
2192 $cached_env_img{$key} = q|<IMG
2197 $key = q/tguide;MSF=1.6;AAT/;
2198 $cached_env_img{$key} = q|<IMG
2203 $key = q/Rh(CO)_2Cp;MSF=1.6;AAT/;
2204 $cached_env_img{$key} = q|<IMG
2209 $key = q/t_{wall};MSF=1.6;AAT/;
2210 $cached_env_img{$key} = q|<IMG
2215 $key = q/He_2;MSF=1.6;AAT/;
2216 $cached_env_img{$key} = q|<IMG
2221 $key = q/{table}center{tabular*{{150mm}{p{15mm}p{12mm}l}hlinehlineDeck&Format&Descriptionhedralforc…
2222 $cached_env_img{$key} = q|<IMG
2232 $key = q/{eqnarraystar}E_{XC}&=&a_0E^{{rm{HF}_X+(1-a_0)E^{{rm{Slater}_{X}+a_XDeltaE^{{rm{w91}_C&&{{…
2233 $cached_env_img{$key} = q|<IMG
2243 $key = q/-1slashr;MSF=1.6;AAT/;
2244 $cached_env_img{$key} = q|<IMG