zhendongli2008 / zmpo_dmrgLinks
ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
☆11Updated 5 years ago
Alternatives and similar repositories for zmpo_dmrg
Users that are interested in zmpo_dmrg are comparing it to the libraries listed below
Sorting:
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆29Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- Cornell-Holland Ab-initio Materials Package☆16Updated 10 months ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated last month
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 weeks ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- QMC=Chem version 2☆19Updated 2 months ago
- ☆13Updated last week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 3 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆25Updated 2 weeks ago
- Reference implementation of GW☆13Updated 5 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 4 months ago
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- Add on-site SOC to Wannier Hamiltonian.☆15Updated 4 years ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last month
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 6 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated 11 months ago
- Mathematica modules for electronic structure calculations☆29Updated last year
- ☆11Updated 4 years ago
- Set of tools for trexio files☆19Updated 3 months ago