MPS-VMC: A high-performance matrix product state variational Monte Carlo Solver for ab initio quantum chemistry

Computer Physics Communications 2026

View at publisher

Authors: Zhiqian Xu, Yangjun Wu, Lizhong Fu, Chu Guo, Honghui Shang

DOI: 10.1016/j.cpc.2026.110057

Cited by: 1

References: 29

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Chemical Physics Studies Quantum many-body systems

References 29