POTENTIAL ENERGY SURFACES AND VIBRATIONAL ENERGY LEVELS OF DCCl AND HCCl IN THEIR THREE LOW-LYING STATES
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Abstract
We present \textit{ab initio} multi-reference configuration interaction (MRCI) calculations of potential energy surfaces of HCCl in its three low-lying electronic states (
Description
{Work at Brookhaven National Laboratory was carried out under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Office of Basic Energy Sciences.
Author Institution: Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973-5000 USA