WebThe Ghent Quantum Chemistry Package (GQCP) is an open-source electronic structure software package that aims to provide an intu- itive and expressive software … WebOct 4, 2024 · The Ghent Quantum Chemistry Package for electronic structure calculations python cpp dsl quantum-chemistry electronic-structure configuration-interaction spinor-basis Updated Sep 7, 2024 Jupyter Notebook SotaYoshida / ShellModel.jl Star 9 Code Issues Pull requests Julia code for nuclear shell-model calculations
GitHub - guacke/gqcp: The Ghent Quantum Chemistry Package …
WebAn intuitive programming package for simulating and analyzing Clifford circuits, quantum measurement, and stabilizer states with applications to many-body localization, classical shadows, quantum chemistry and error correction code. most recent commit 17 days ago Scialgs.jl ⭐ 24 Fundamental scientific algorithms in Julia WebThe Ghent Quantum Chemistry Package (GQCP) aims to provide an open-source domain specific language (DSL) for general electronic structure method development in spinor bases. This DSL is implemented in a C++ … buggyrad croozer
GQCP: The Ghent Quantum Chemistry Package
WebTo perform quantum computations for materials, a large number of software packages have been developed over the years and are still being developed. The aim of this spring school is to familiarize the participant with a selection of major ab initio codes used in quantum chemistry and solid-state physics: VASP, ABINIT, Gaussian, and CP2K. WebIn GQCP, a quantum chemical (wave function) model is defined to be a parametrization of a certain kind of wave function. To encapsulate the optimizable parameters related to a certain quantum chemical method, we currently provide the following models: CCD CCSD CI AP1roG vAP1roG RHF UHF CCD CCSD CI WebGhent University - Cited by 8 - Quantum Chemistry - Constrained Wavefunction Theory crossbow first invented