Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions

Journal article

Creator

Kousuke Nakano (author) (Search by this author)

https://orcid.org/0000-0001-7756-4355

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Kousuke Nakano ;

Benjamin X. Shi (author) (Search by this author)

Benjamin X. Shi ;

Dario Alfè (author) (Search by this author)

Dario Alfè ;

Andrea Zen (author) (Search by this author)

Andrea Zen

Keyword

Quantum Monte Carlo, Diffusion Monte Carlo, Fixed-Node Error

Date published

2025-05-13

Updated at

2025-12-02 08:30:03 +0900