TY - JOUR
T1 - Use of vibrationally adiabatic basis functions for inelastic atom-molecule scattering
AU - Harvey, Nancy Mullaney
AU - Truhlar, Donald G.
PY - 1980/1/1
Y1 - 1980/1/1
N2 - Convergence rates are compared for adiabatic basis sets and conventional free-molecule basis sets for the expansion of the scattering wavefunction in the quantal treatment of a collinear model of vibrationally inelastic He-H2 scattering. Vibrationally adiabatic basis sets lead to faster convergence (and increased accuracy) than basis sets of asymptotic target eigenfunctions
AB - Convergence rates are compared for adiabatic basis sets and conventional free-molecule basis sets for the expansion of the scattering wavefunction in the quantal treatment of a collinear model of vibrationally inelastic He-H2 scattering. Vibrationally adiabatic basis sets lead to faster convergence (and increased accuracy) than basis sets of asymptotic target eigenfunctions
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U2 - 10.1016/0009-2614(80)85152-9
DO - 10.1016/0009-2614(80)85152-9
M3 - Article
AN - SCOPUS:53149110423
SN - 0009-2614
VL - 74
SP - 252
EP - 256
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 2
ER -