CoRe database of binary neutron star merger waveforms
- Award ID(s):
- 1707227
- Publication Date:
- NSF-PAR ID:
- 10096501
- Journal Name:
- Classical and Quantum Gravity
- Volume:
- 35
- Issue:
- 24
- Page Range or eLocation-ID:
- 24LT01
- ISSN:
- 0264-9381
- Sponsoring Org:
- National Science Foundation
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We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern versions of QMC algorithms in an accessible format, enabling algorithmic development and easy implementation of complex workflows. Tight integration with the PySCF environment allows for a simple comparison between QMC calculations and other many-body wave function techniques, as well as access to high accuracy trial wave functions.