SUBROUTINE drxiom(TR,RS,VS,OG11,OG22,OBX,OCX,OEX,ERROR) C** Collision integrals using LJ for TR<10 and BM for TR>10 ** C** coefs. from Bzowski et al. JPCRD v19 p1179 (1990). ** C** Range for 0.2 10.0 A10 = DLOG(0.1D0*VS) AA = DLOG(VS/TR) C type I AT = 1.D0/(TR*TR) gn01 = g1(3)/a10 gn02 = g2(3)/a10 gn03 = g3(3)/a10 B1 = G1(1)+G1(2)/A10+gn01*gn01 B2 = (G2(1)+G2(2)/A10+gn02*gn02)*(-1.D3) B3 = (G3(1)+G3(2)/A10+gn03*gn03)*(1.D5) SUM1 = RS*RS*(BT(1)+AT*(BT(2)+AT*(BT(3)+AT*BT(4)))) SUM2 = AT*(B1+AT*(B2+AT*B3))/(A10*A10) OG11 = (SUM1 + SUM2) * (AA*AA) #ifndef FIRST_ORDER_DRFM SUM3 = RS*RS*AT*(BT(2)+AT*(2.D0*BT(3)+3.D0*AT*BT(4))) SUM4=AT*(B1+AT*(2.D0*B2+AT*3.D0*B3))/(A10*A10) HP1 = (SUM3+SUM4)/(SUM1+SUM2) OCX = 1.D0-((1.D0/AA)+ HP1 )*2.D0/3.D0 SUM5=RS*RS*AT*(2.D0*BT(2)+AT*(8.D0*BT(3)+18.D0*AT*BT(4))) SUM6=AT*(2.D0*B1+AT*(8.D0*B2+AT*18.D0*B3))/(A10*A10) HP2 = (SUM5+SUM6)/(SUM1+SUM2) +2.D0*(HP1*HP1) OBX = 4.D0*OCX-3.D0*(OCX*OCX)+((1.D0/(AA*AA))-HP2)*2.D0/3.D0 #endif C type II AT = 1.D0/DLOG(TR) fn01 = f1(3)/a10 fn02 = f2(3)/a10 fn03 = f3(3)/a10 B1 = F1(1)+F1(2)/A10+fn01*fn01 B2 = (F2(1)+F2(2)/A10+fn02*fn02)*(-1.D0) B3 = (F3(1)+F3(2)/A10+fn03*fn03) SUM1=RS*RS*(DT(1)+AT*AT*(DT(3)+AT*(DT(4)+AT*DT(5)))) SUM2 = AT*AT*(B1+AT*(B2+AT*B3))/(A10*A10) OG22 = (SUM1 + SUM2) * (AA*AA) #ifndef FIRST_ORDER_DRFM SUM3 = RS*RS*AT*AT*AT*(2.D0*DT(3)+AT*(3.D0*DT(4)+ & 4.D0*AT*DT(5))) SUM4 = AT*AT*AT*(2.D0*B1+AT*(3.D0*B2+AT*4.D0*B3))/(A10*A10) OEX = 1.D0-( 2.D0/AA + (SUM3+SUM4)/(SUM1+SUM2) )/4.D0 #endif RETURN END