zhendongli2008 / Lecture-Notes-On-Quantum-ChemistryLinks
Quantum Chemistry Course @ BNU2021
☆23Updated 3 years ago
Alternatives and similar repositories for Lecture-Notes-On-Quantum-Chemistry
Users that are interested in Lecture-Notes-On-Quantum-Chemistry are comparing it to the libraries listed below
Sorting:
- ☆44Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 3 years ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- A library of density matrix embedding theory (DMET).☆38Updated 11 months ago
- Quantum dynamics package based on tensor network states☆66Updated 3 weeks ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆96Updated last week
- ☆65Updated 7 months ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Updated last year
- MRH's research code☆25Updated last week
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 7 months ago
- A Wick theorem kernel written in C++ and interfaced with Python☆46Updated 11 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Updated 3 weeks ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆45Updated 4 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆68Updated 5 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆10Updated 2 years ago
- A Python package for wave function-based quantum embedding☆37Updated last month
- ☆12Updated 11 months ago
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- ☆23Updated 3 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 6 months ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- ☆53Updated last month
- A Wannier90 python interface for VASP and PySCF☆41Updated 2 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆61Updated 3 months ago