“Linear Scaling Auxiliary-Field Quantum Monte Carlo Method with Local Natural Orbitals for Efficient Molecular Calculations”

https://pubmed.ncbi.nlm.nih.gov/38113195

Researchers have developed a linear scaling auxiliary-field quantum Monte Carlo method using local natural orbitals, demonstrating faster and more efficient calculations for molecular problems, particularly for large systems and basis sets, and making it suitable for strongly correlated systems in chemistry and material science.