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Software Development for Integrating Molpro with Newton-X for Adiabatic and Non-adiabatic Excited State Dynamics
DownloadFall 2019
An interface between the non-adiabatic dynamics software Newton-X and the quantum chemistry software package Molpro has been created for select methods: second order local coupled cluster (LCC2), second order local algebraic diagrammatic construction (LADC(2)), and complete active space...
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