zhendongli2008 / Lecture-Notes-On-Quantum-ChemistryLinks
Quantum Chemistry Course @ BNU2021
☆22Updated 2 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:
- ☆32Updated 10 months ago
- Quantum dynamics package based on tensor network states☆62Updated 2 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 6 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆85Updated this week
- Software package to handle the many-fermionic operator☆15Updated 12 years ago
- ☆55Updated last month
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆37Updated 2 years ago
- MRH's research code☆25Updated this week
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆64Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- ☆90Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- ☆10Updated 5 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆42Updated last month
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated 2 months ago
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 6 months ago
- Coupled-cluster package written in Python.☆43Updated this week
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated last month
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- A Python package for wave function-based quantum embedding☆34Updated last week
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆96Updated 5 months ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆10Updated last year
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 3 weeks ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Updated 10 months ago
- ☆51Updated 3 months ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated 2 weeks ago