[Other] Analytical nuclear gradients for second-order Mller–Plesset perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals

zhouzij Post time Half hour(s) ago | Show all posts |Read mode
This post will be closed automatically in 2026-09-19 09:42
Reward20points

journal:The Journal of Chemical Physics

Authors:Manami Hayashi; Masaaki Saitow; Takeshi Yanai

Published date:2025-12-21

DOI:10.1063/5.0302950

PDF link:https://pubs.aip.org/aip/jcp/art ... 114_1_5.0302950.pdf

Article link:https://doi.org/10.1063/5.0302950

Article Source:AIP Publishing


Remark:
Reply

Use magic Donate Report

All Reply0 Show all posts

Reply

You have to log in before you can reply Login | Register

Points Rules

Return to the list