berkelbach-group / pyrhoLinks
a python package for reduced density matrix techniques
☆16Updated 4 years ago
Alternatives and similar repositories for pyrho
Users that are interested in pyrho are comparing it to the libraries listed below
Sorting:
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆51Updated this week
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated this week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆37Updated last month
- adcc: Seamlessly connect your program to ADC☆36Updated 2 weeks ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- ☆52Updated last week
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- ☆30Updated 5 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated 2 years ago
- Hartree-Fock Python☆18Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆20Updated 3 months ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆35Updated 2 weeks ago
- ☆12Updated last year
- Quantum dynamics package based on tensor network states☆60Updated 2 months ago
- ☆30Updated 7 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- reinforcement learning configuration interaction☆9Updated 4 years ago
- davidson iterative diagonalizer☆12Updated 4 years ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆41Updated last year
- Mathematica modules for electronic structure calculations☆34Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- On-the-fly generator of space-group irreducible representations☆52Updated this week
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 5 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- interacting Dynamic Electrons Approach☆27Updated 3 weeks ago
- A set of useful tools for Quantum ESPRESSO☆33Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- A Python package for wave function-based quantum embedding☆34Updated 2 weeks ago