Quantum Chemistry Course @ BNU2021
☆23Sep 22, 2022Updated 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Jan 7, 2026Updated 6 months ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆14Oct 7, 2019Updated 6 years ago
- MRH's research code☆30Updated this week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 8 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- Neural-Network Quantum States for Quantum Chemistry☆18Jun 11, 2026Updated last month
- Quantum dynamics package based on tensor network states☆73May 20, 2026Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆40Apr 30, 2026Updated 2 months ago
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- ☆48Oct 5, 2024Updated last year
- Efficient parallel quantum chemistry DMRG in MPO formalism☆122May 29, 2026Updated last month
- PySCF with auto-differentiation☆106Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆23Mar 11, 2023Updated 3 years ago
- Python bindings for TBLIS☆19Mar 9, 2026Updated 4 months ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆19May 25, 2026Updated 2 months ago
- ☆20May 13, 2026Updated 2 months ago
- 《现代量子化学》汉化版☆186Jun 22, 2026Updated last month
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 3 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆52Updated this week
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- 浙江大学王林军课题组入门指南☆83Mar 2, 2020Updated 6 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆69Aug 12, 2025Updated 11 months ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- A demonstration of Hartree Fock program☆14Jan 20, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 12 years ago
- Real-time TDDFT for Quantum-Espresso☆26Jun 22, 2023Updated 3 years ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 4 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 8 years ago
- General Reference Configuration Interaction package☆17May 29, 2026Updated last month
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46May 29, 2026Updated 2 months ago