New Correlation-Consistent Effective Core Potentials

Explore the development of new correlation-consistent effective core potentials in this 29-minute conference talk presented by Benjamin Kincade from North Carolina State University at the QMCPACK Workshop 2023. Gain insights into the latest advancements in computational chemistry and materials science as Kincade discusses the creation and implementation of these potentials. Delve into the technical aspects of effective core potentials and their importance in quantum Monte Carlo simulations. Learn how these new potentials can improve the accuracy and efficiency of electronic structure calculations. For more information and related materials, visit the QMCPACK Workshop 2023 GitHub repository.

New correlation-consistent effective core potentials, Benjamin Kincade, QMCPACK Workshop 2023, 10/18