LCPQ / qcmath
Mathematica modules for electronic structure calculations
☆26Updated last year
Alternatives and similar repositories for qcmath:
Users that are interested in qcmath are comparing it to the libraries listed below
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 8 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- ☆10Updated 2 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Hartree-Fock Python☆17Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆34Updated last year
- Coupled-cluster package written in Python.☆34Updated this week
- A library of density matrix embedding theory (DMET).☆33Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated 3 weeks ago
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Reference implementation of GW☆13Updated 5 years ago
- An example to implement PBC SCF☆13Updated 6 years ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 6 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 2 months ago
- Tutorials showcasing various capabilities of Libra☆21Updated 5 months ago
- Draft for my book about implementing density functional theory☆18Updated 6 months ago
- Notes on Electronic Structure Theory (CHEM532)☆24Updated 11 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated 2 months ago
- n2v: Density-to-potential Inversion Suite☆22Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated 11 months ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- WEST code☆19Updated 2 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated last month
- ☆51Updated last week