rudin-jiang / QuantumChemistryCppLinks
A tutorial for beginners to write quantum chemistry programs with cpp.
☆9Updated last year
Alternatives and similar repositories for QuantumChemistryCpp
Users that are interested in QuantumChemistryCpp are comparing it to the libraries listed below
Sorting:
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆26Updated 5 months ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 5 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- OpenRSP: open-ended response theory.☆16Updated 4 years ago
- Fast, hackable molecular integrals☆12Updated 2 years ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆19Updated last month
- Molecular integrals over Gaussian basis functions using sympy.☆15Updated 10 months ago
- Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.☆36Updated last week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated last year
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated last month
- Libint2 interface to Julia☆14Updated 4 years ago
- Reference implementation of GW☆13Updated 6 years ago
- Ab Initio Energies☆10Updated 3 weeks ago
- Julia Bindings for Atomic Simulation Environment☆38Updated 4 years ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 4 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- A fully autodifferentiable and variational HF☆42Updated 5 years ago
- Draft for my book about implementing density functional theory☆19Updated 4 months ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Updated 7 years ago
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆30Updated last month
- Mathematica modules for electronic structure calculations☆36Updated last year
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆14Updated 2 months ago
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Updated 6 years ago
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆20Updated 5 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 6 months ago
- ☆19Updated 3 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆53Updated 3 weeks ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆37Updated 2 years ago