most citedElectronic Quantum Monte Carlo Calculations of Atomic Forces, Vibrations, and Anharmonicities

31 citations · 31 across the 1 of their papers we have counts for

collaborators

1 paper

physics.chem-ph2004★ 31 cited

Electronic Quantum Monte Carlo Calculations of Atomic Forces, Vibrations, and Anharmonicities

Myung Won Lee, Massimo Mella, Andrew M. Rappe

Atomic forces are calculated for first-row monohydrides and carbon monoxide within electronic quantum Monte Carlo (QMC). Accurate and efficient forces are achieved by using an impr…