Warlocat / x2camf
SOC integrals generator with atomic mean field approximation
☆10Updated last week
Alternatives and similar repositories for x2camf:
Users that are interested in x2camf are comparing it to the libraries listed below
- ☆11Updated last month
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Correlation consistent Gaussian basis sets for solids☆23Updated last year
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 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 last month
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 9 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- ☆11Updated 4 years ago
- public version of our general contraction code project☆11Updated last week
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago
- Dyson equation solvers for electron propagator methods☆10Updated 3 weeks ago
- ☆10Updated 2 months ago
- A Python package for wave function-based quantum embedding☆34Updated last month
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- An example to implement PBC SCF☆14Updated 6 years ago
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- Pythonic electronic structure theory.☆17Updated last week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆19Updated last week
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- Natural-orbital Functional based on PySCF☆10Updated 8 months ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 10 months ago
- MRH's research code☆25Updated this week
- QMC=Chem version 2☆19Updated 3 weeks ago
- Set of tools for trexio files☆19Updated last month
- Library for local orbital scaling correction (LOSC).☆16Updated 10 months ago
- Reference implementation of GW☆13Updated 5 years ago