050907; HCl exp. potentials: Agust,heima.../REMPI/HCl/HCl,agust07-/HCl-Potentials vhwak.pxp Agust,heima.../REMPI/HCl/HCl,agust07-/HCl-pot xls Agust,
H35ClFstate unit we2608,3from AK etal, JCP, vol 112(24), (2000) cm-1 wexe49,35from AK etal, JCP, vol 112(24), (2000) cm-1 De34464,17877we*we/(4*wexe) cm-1 beta1, *we*SQRT(mju/De) A-1 re1,295from AK etal, JCP, vol 112(24), (2000) A mju0, http:// g/mol nju0(v=0)82847,2from Green etal., page 313 cm-1 T081555,3875T0=nju0-(we/2 - wexe/4) cm-1 V state (1) we877,16NIST wexe16,04NIST De11992,04591we*we/(4*wexe) beta0, *we*SQRT(mju/De) re2,512NIST nju0(v=0)76245,3NIST T075810,73T0=nju0-(we/2 - wexe/4) Vstate (2) we745,12analysis of Greens data wexe5,357analysis of Greens data De90698,92178we*we/(4*wexe) beta0, *we*SQRT(mju/De) re2,512NIST nju0(v=3)78697,9Green et al. T076155,60325nju0(v=3) -(we(3.5)-wexe(3,5)*(3,5))
E state: we221756,6667unit change of cm-1 c3,00E+08speed of light mju1,62669E-27 k2,84E+02force constant pi3, C7,14E+04in C(r-re)**2 h6,63E-34planks const. T082671,21667 U(r) = T0 + C(r-re)**2; r and re in A Estate: B8,37from RW Field et al., JCP, 109(19), 8374, (1998) re1, sqrt(h*10**18/(B8Pi*pi*c*mju) V B2,525from RW Field et al., JCP, 109(19), 8374, (1998) 2, sqrt(h*10**18/(B8Pi*pi*c*mju)
vnju0(F) ,2 Green et al., A´ ,7 Green et al., A´ ,4 Green et al., A´ vnju0(E) Green etal, ,82139,8Green etal, ,72246,9Green etal, ,72266Green etal, average: 2217,567 OR: ,82139, ,92257, ,72255,8 average: 2217,567 vnju0(V) ref ,9 Green etal, ,7755,8Green etal, ,4729,7Green etal, ,9704,5Green etal, ,8681,9Green etal, ,8656Green etal, ,7613,9Green etal, ,3Green etal, Green etal, ,1539,1Green etal, ,4531,3Green etal, ,7393,3Green etal, ,6732,9Green etal, ,8527,2Green etal, ,2533,4Green etal, ,4502,2Green etal, ,5598,1Green etal, ,1520,6Green etal, ,3521,2Green etal, ,8499,5Green etal, ,1523,3Green etal, ,5515,4Green etal, ,5Green etal, ,1459,1Green etal, ,4436,3Green etal, ,7534,3Green etal, ,3390,6Green etal, ,3493Green etal, ,4392,1Green etal, ,8368,4Green etal,
UVb= *(1-exp( *(rx1a-2.512)))^2 UF= *(1-exp( *(rx1a-1.295)))^2 UVa= *(1-exp( *(rx1a-2.512)))^2 UE= e4*(re )^2
UF UVb UVa UE