Supplementary Material (ESI) for PCCP
This journal is © The Owner Societies 2001


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C***********************************************************************
C     This program was written by Carl McBride 18.I.2001
C     Program Title : B2_star_l_0.f
C     This program forms part of the paper:
C     The second virial coefficient of quadrupolar two center Lennard-Jones models.
C     Carlos Mendiña, Carl McBride and Carlos Vega
C     Physical Chemistry and Chemical Physics, 2001.
C
C     Any use of this program or part thereof should be acknowledged
C     by means of a citation of the aformentioned paper.
C     There is no warranty for this program, including the implied
C     warranties of merchantability and fitness for a particular
C     purpose. The entire risk as to the quality and performance 
C     of the program is with yourself. Should this program prove 
C     defective, you assume the cost of all necessary servicing,
C     repair or correction.
C
C     Last modified:  
C***********************************************************************
      IMPLICIT NONE
      DOUBLEPRECISION q,t,b2,output
 
      WRITE(*,*)'Q*2 '
      READ(*,*)q
      WRITE(*,*)'T '
      READ(*,*)t
      output=b2(q,t)
      WRITE(*,*)output

      END

C***********************************************************************
      FUNCTION b2(q,t)
C***********************************************************************
      DOUBLEPRECISION q,t,b2
      DOUBLEPRECISION c1,c2,c3,c4,c5,c6,c7,c8,c9,c10
      DOUBLEPRECISION c11,c12,c13,c14,c15,c16,c17,c18,c19,c20
      DOUBLEPRECISION c21,c22,c23,c24,c25,c26,c27,c28
      DOUBLEPRECISION d1,d2,d3,d4,d5,d6,d7



      d1 =    1.5338686833399349
      d2 =   -4.5686955902179731
      d3 =   -2.3177758510108624
      d4 =    0.19241432156094235
      d5 =   -0.12354315917549381
      d6 =   -3.63906475784654612E-2
      d7 =    3.37166253548340815E-3

      c1  = 0.22554126898744087
      c2  = -0.16258518985954554
      c3  = -0.10549041175938886
      c4  = 2.66593466849528553E-2
      c5  = -0.68622013945514737
      c6  = -2.1848909594435852
      c7  = 2.7115690349531096
      c8  = -0.39659179457494304
      c9  = -1.8218230614399284
      c10 = 14.246453361099661
      c11 = -10.933746864066601
      c12 = 0.6851387054360274
      c13 = 5.512334219305183
      c14 = -24.945763515067306
      c15 = 5.4239756775738694
      c16 = 3.0211531654179082
      c17 = -0.3661815009984456
      c18 = -0.46272189804265373
      c19 = 18.796536774318561
      c20 = -6.5837736461090923
      c21 = 2.6054388821702985
      c22 = -9.7042491558344235
      c23 = 7.2559012410574377
      c24 = -6.2838680831429805
      c25 = -3.2783434947051862
      c26 = 12.335695801686716
      c27 = -14.002835402583143
      c28 = 5.7892195500646819

      b2  =
     .   (d1 +  c1*q +  c2*q**2 +  c3*q**3 +  c4*q**4)
     . + (d2 +  c5*q +  c6*q**2 +  c7*q**3 +  c8*q**4)/t
     . + (d3 +  c9*q + c10*q**2 + c11*q**3 + c12*q**4)/t**2
     . + (d4 + c13*q + c14*q**2 + c15*q**3 + c16*q**4)/t**3
     . + (d5 + c17*q + c18*q**2 + c19*q**3 + c20*q**4)/t**4
     . + (d6 + c21*q + c22*q**2 + c23*q**3 + c24*q**4)/t**5
     . + (d7 + c25*q + c26*q**2 + c27*q**3 + c28*q**4)/t**6


       RETURN
       END