Codes for the calculation of the ground-state energies (classical energy and harmonic corrections) of Wigner crystals in 1D, 2D, and 3D using Clifford boundary conditions with a renormalized distance.
Updated 2021-03-11 12:28:06 +01:00
This repository is version 1 of QP. This version is not supported any more.
Version 2 is available here : https://github.com/QuantumPackage/qp2
Updated 2019-06-28 00:16:47 +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 2024-04-22 15:59:02 +02:00
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
Quantum Package : a programming environment for wave function methods
Updated 2024-05-02 16:22:43 +02:00
A code for the calculation of Madelung constants
Updated 2021-03-12 22:27:06 +01:00
Updated 2021-06-04 13:45:58 +02:00
Updated 2022-06-09 09:44:28 +02:00
Computes the Electron Pair Localization Function
Updated 2020-06-03 23:37:35 +02:00