nmayhall-vt / FermiCG
☆11Updated 8 months ago
Alternatives and similar repositories for FermiCG:
Users that are interested in FermiCG are comparing it to the libraries listed below
- Cornell-Holland Ab-initio Materials Package☆16Updated 8 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- davidson iterative diagonalizer☆12Updated 3 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆16Updated 3 weeks ago
- Library for local orbital scaling correction (LOSC).☆16Updated 10 months ago
- Dyson equation solvers for electron propagator methods☆10Updated 2 weeks ago
- A Python package for wave function-based quantum embedding☆34Updated last month
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- Hartree-Fock Python☆17Updated 2 years ago
- ☆11Updated last month
- Repository for PseudopotentialLibrary.org website and database☆14Updated 10 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 10 months ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated last week
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated last month
- Libint2 interface to Julia☆13Updated 4 years ago
- ☆10Updated 2 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Reference implementation of GW☆13Updated 5 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆14Updated 2 weeks ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- optking: A molecular geometry optimization program☆23Updated 2 months ago
- reinforcement learning configuration interaction☆9Updated 3 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆19Updated this week
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 11 months ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago