lauvergn / ElVibRot-TnumTanaLinks
General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels, intensities for floppy molecular system (ii) Wave-packet propagation with or witout time dependant Hamiltonian (iii) Quantum gate and optimal control.
☆10Updated 2 years ago
Alternatives and similar repositories for ElVibRot-TnumTana
Users that are interested in ElVibRot-TnumTana are comparing it to the libraries listed below
Sorting:
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆55Updated 2 years ago
- Interacting quantum impurity solver toolkit☆40Updated 3 months ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- ☆64Updated 6 months ago
- A library of density matrix embedding theory (DMET).☆37Updated 11 months ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆33Updated 10 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆94Updated 3 weeks ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Updated last week
- A Wick theorem kernel written in C++ and interfaced with Python☆46Updated 11 months ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 7 months ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- pyblock3: an efficient python block-sparse tensor library☆28Updated 4 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- Quantum dynamics package based on tensor network states☆66Updated last week
- Quantum Chemistry Course @ BNU2021☆22Updated 3 years ago
- ☆25Updated this week
- Many-Body Perturbation solvers for Green project☆13Updated 3 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆59Updated 2 months ago
- Reference implementation of GW☆13Updated 6 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆45Updated 3 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated 2 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆39Updated 2 years ago
- Topological Insulators - Notebooks for an introductory course☆30Updated 10 years ago
- Code to calculate the crystal field Hamiltonian of magnetic ions.☆65Updated 7 months ago
- ☆53Updated 2 weeks ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆39Updated 2 weeks ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆35Updated last month