QMC-Cornell / CHAMP
Cornell-Holland Ab-initio Materials Package
☆15Updated 3 months ago
Related projects ⓘ
Alternatives and complementary repositories for CHAMP
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Repository for PseudopotentialLibrary.org website and database☆14Updated 4 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 3 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Library for local orbital scaling correction (LOSC).☆15Updated 4 months ago
- GMTKN test sets in python☆9Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Dyson equation solvers for electron propagator methods☆10Updated 2 weeks ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- ☆11Updated 2 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆18Updated last year
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆21Updated 4 years ago
- Set of tools for trexio files☆19Updated last week
- Pythonic electronic structure theory.☆12Updated this week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 4 months ago
- Donostia Natural Orbital Functional Software☆17Updated 5 months ago
- QMC=Chem version 2☆19Updated 2 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- A Python package for wave function-based quantum embedding☆33Updated 3 weeks ago
- ☆13Updated 3 months ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated this week
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆13Updated last year
- Reference implementation of GW☆13Updated 5 years ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated last month
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- Hartree-Fock Python☆17Updated last year