hartree-fock
Here are 17 public repositories matching this topic...
Hartree fock method implementation
-
Updated
Apr 30, 2022 - C++
Lightweight (restricted) Hartree-Fock program for calculating wavefunction values
-
Updated
Jun 3, 2019 - C++
C++ Computational Chemistry software designed mainly as a learning tool.
-
Updated
Aug 6, 2019 - C++
The repository contains a C++ code for the quantum molecular dynamics of the hydrogen molecule. The code can be found in the folder CODE, while a discussion of the outputs and the algorithms employed can be found in the REPORT folder.
-
Updated
Sep 27, 2023 - C++
A project to study Hartree-Fock technique in 1-D
-
Updated
Nov 3, 2017 - C++
Fast and simple way to electronic structure methods.
-
Updated
Jun 16, 2024 - C++
Hartree Fock corrections to nearly free electron Bloch bands
-
Updated
Dec 10, 2017 - C++
[ARCHIVE/2009] Hartree-Fock-Roothan (C++)
-
Updated
Oct 26, 2020 - C++
Grid-based stochastic electronic structure methods
-
Updated
Mar 12, 2020 - C++
A complete Hartree-Fock framework employing Gaussian basis functions written from scratch in C++.
-
Updated
Apr 15, 2018 - C++
Massively parallel electronic structure code for experimentation
-
Updated
May 15, 2024 - C++
Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages
-
Updated
Feb 27, 2017 - C++
Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein
-
Updated
Jun 14, 2024 - C++
C++ and Python library for Polarizable Embedding
-
Updated
Oct 4, 2023 - C++
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
-
Updated
Jun 7, 2024 - C++
Improve this page
Add a description, image, and links to the hartree-fock topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the hartree-fock topic, visit your repo's landing page and select "manage topics."