theochem / ModelHamiltonianLinks
Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
☆34Updated last week
Alternatives and similar repositories for ModelHamiltonian
Users that are interested in ModelHamiltonian are comparing it to the libraries listed below
Sorting:
- Coupled-cluster package written in Python.☆39Updated last week
- adcc: Seamlessly connect your program to ADC☆35Updated last month
- ☆51Updated 4 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated last year
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆49Updated 8 months ago
- A Python package for wave function-based quantum embedding☆34Updated 2 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last month
- ☆30Updated 7 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 11 months ago
- I can't believe it's NonAbelian!☆20Updated 2 months ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆20Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated 2 years ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆30Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 4 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆36Updated 2 weeks ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- ☆10Updated 3 months ago
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- ☆58Updated last week
- Quantum dynamics package based on tensor network states☆60Updated 2 weeks ago
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 4 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- ☆52Updated 8 months ago
- public version of our general contraction code project☆11Updated 3 weeks ago
- Mathematica modules for electronic structure calculations☆29Updated last year