zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
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:
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated last year
- ☆27Updated 7 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- MRH's research code☆25Updated last week
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 3 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated last year
- ☆51Updated 3 months ago
- Hartree-Fock code written in full C++ standard☆28Updated last year
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Updated 7 months ago
- Coupled-cluster package written in Python.☆39Updated last week
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- ☆78Updated this week
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 3 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- Quantum dynamics package based on tensor network states☆60Updated last month
- Efficient parallel quantum chemistry DMRG in MPO formalism☆80Updated 3 weeks ago
- A Python package for wave function-based quantum embedding☆34Updated last month
- An example to implement PBC SCF☆14Updated 6 years ago
- ☆10Updated 2 months ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆18Updated 3 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆61Updated last year
- Amateurish molecular electronic structure program.(for linux)☆23Updated 8 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 2 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆30Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- adcc: Seamlessly connect your program to ADC☆35Updated 3 weeks ago
- ☆37Updated 2 years ago