hczhai / fci-sisoLinks
State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
☆11Updated last year
Alternatives and similar repositories for fci-siso
Users that are interested in fci-siso are comparing it to the libraries listed below
Sorting:
- Software package to handle the many-fermionic operator☆15Updated 12 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- ☆13Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆37Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 6 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 3 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated 3 months ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- Cornell-Holland Ab-initio Materials Package☆16Updated last year
- SeQuant: second quantization toolkit☆16Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- Automatic equation of motion coupled cluster generator☆16Updated 2 years ago
- QMC=Chem version 2☆19Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last month
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- ☆11Updated 6 months ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Updated 3 years ago
- ☆55Updated 2 months ago
- Add on-site SOC to Wannier Hamiltonian.☆15Updated 4 years ago
- Hartree-Fock Python☆18Updated 2 years ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆31Updated 6 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆28Updated this week