sigvebs / MCTDHFLinks
Program for simulating time evolution in quantum systems using the MCTDHF method.
☆17Updated 7 years ago
Alternatives and similar repositories for MCTDHF
Users that are interested in MCTDHF are comparing it to the libraries listed below
Sorting:
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆16Updated last year
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- ☆13Updated 2 months ago
- SeQuant: second quantization toolkit☆16Updated 2 years ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆21Updated last year
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆26Updated 6 months ago
- QMC=Chem version 2☆19Updated last month
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Updated 7 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- Set of tools for trexio files☆19Updated 3 weeks ago
- Reference implementation of GW☆13Updated 6 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 3 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last month
- Parallel Computational Chemistry Application☆18Updated 7 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆37Updated 2 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 5 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- MOHA: MOlecular HAmiltonian☆15Updated last year