Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons

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 ;

Sandro Sorella (author) (Search by this author)

Sandro Sorella ;

Dario Alfè (author) (Search by this author)

Dario Alfè ;

Andrea Zen (author) (Search by this author)

Andrea Zen

Keyword

第一原理量子モンテカルロ法, 拡散量子モンテカルロ法

Date published

2024-06-11

Updated at

2024-08-27 08:30:13 +0900