040907; HCl potentials: Agust,heima.../REMPI/HCl/HCl,agust07-/HCl-Potentials vhwak.pxp Agust,heima.../REMPI/HCl/HCl,agust07-/HCl-Vstate ak.pxp Agust,heima.../REMPI/HCl/HCl,agust07-/HCl-pot xls Agust,
H35ClFstateunit 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:// nju0(v=0)82847,2from Green etal., page 313cm-1 T081555,3875T0=nju0-(we/2 - wexe/4)cm-1 X state we2990,9463AK etal JCP 109(14) (1998)cm-1 wexe52,8186AK etal JCP 109(14) (1998)cm-1 DE42341,90119we*we/(4*wexe)cm-1 beta1, *we*SQRT(mju/De)A-1 re1,274552NISTA-1 T0-1482,2685T0=nju0-(we/2 - wexe/4)cm-1 V state (1) we877,16NISTcm-1 wexe16,04NISTcm-1 De11992,04591we*we/(4*wexe)cm-1 beta0, *we*SQRT(mju/De)A-1 re2,512NISTA nju0(v=0)76245,3NISTcm-1 T075810,73T0=nju0-(we/2 - wexe/4)cm-1 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)) ; HCl potentials from experiments:
Coefficient values ± one standard deviation a = ± 30.7 b = ± 1.55 Coefficient values ± one standard deviation a = ± 7.5 b = ± 1.03 V´+1 DG V state
H35ClFstateunit 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:// nju0(v=0)82847,2from Green etal., page 313cm-1 T081555,3875T0=nju0-(we/2 - wexe/4)cm-1 X state we2990,9463AK etal JCP 109(14) (1998)cm-1 wexe52,8186AK etal JCP 109(14) (1998)cm-1 DE42341,90119we*we/(4*wexe)cm-1 beta1, *we*SQRT(mju/De)A-1 re1,274552NISTA-1 T0-1482,2685T0=nju0-(we/2 - wexe/4)cm-1 V state (1) we877,16NISTcm-1 wexe16,04NISTcm-1 De11992,04591we*we/(4*wexe)cm-1 beta0, *we*SQRT(mju/De)A-1 re2,512NISTA nju0(v=0)76245,3NISTcm-1 T075810,73T0=nju0-(we/2 - wexe/4)cm-1 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))
X state F state V state (2) V state (1) F, V(1), V(2) and X state Morse potentials (see above), etc: ? fit fits