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Learn about correlation consistent effective core potentials and the pseudopotential library in this 18-minute lecture delivered by Omar Madany as part of the Quantum Monte Carlo and QMCPACK Summer School 2025. Explore the theoretical foundations and practical applications of effective core potentials in quantum Monte Carlo calculations, with specific focus on correlation consistent approaches that maintain accuracy while reducing computational complexity. Discover how pseudopotential libraries are organized and utilized within the QMCPACK framework for efficient electronic structure calculations. Access comprehensive presentation materials and example files through the accompanying GitHub repository to reinforce your understanding of these essential computational chemistry concepts and their implementation in modern quantum Monte Carlo simulations.
Syllabus
Correlation consistent effective core potentials - QMC and QMCPACK Summer School 2025 (3.2/7)
Taught by
QMCPACK