Updated 2020-09-22 17:05:49 +02:00
Computes the Electron Pair Localization Function
Updated 2020-06-03 23:37:35 +02:00
Updated 2024-04-22 15:59:02 +02:00
This repository contains the data management plan of the PTEROSOR ERC project.
Updated 2020-08-03 15:48:24 +02:00
Updated 2022-03-03 17:12:42 +01:00
Updated 2024-05-06 10:30:17 +02:00
Source code running LCPQ code subsite
Updated 2023-02-21 21:49:39 +01:00
Updated 2021-03-02 14:44:01 +01:00
QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
Updated 2024-04-22 15:59:02 +02:00
Open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected CI methods and multi-reference PT2.
Updated 2024-05-02 16:22:43 +02:00
Updated 2020-08-17 08:27:35 +02:00
Updated 2021-03-02 14:44:13 +01:00
Review article for WIREs on the QUEST database and Mika's website
Updated 2020-12-11 15:48:38 +01:00
Updated 2021-03-02 14:43:49 +01:00
Updated 2021-04-20 08:15:51 +02:00
Updated 2021-04-20 08:15:30 +02:00
Updated 2021-03-02 14:43:17 +01:00