浙江大学王林军课题组入门指南
☆85Mar 2, 2020Updated 6 years ago
Alternatives and similar repositories for A-Not-So-Short-Guide-for-LinJun-Group
Users that are interested in A-Not-So-Short-Guide-for-LinJun-Group are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆40Feb 4, 2026Updated 3 months ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- A demonstration of Hartree Fock program☆14Jan 20, 2023Updated 3 years ago
- 《现代量子化学》汉化版☆180May 12, 2026Updated 2 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆22Jan 10, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Quantum Chemistry Course @ BNU2021☆23Sep 22, 2022Updated 3 years ago
- Brilliantly Advanced General Electronic-structure Library☆121Mar 31, 2025Updated last year
- 收集了一些计算化学相关的推荐资料。☆34Dec 31, 2024Updated last year
- TD-DMRG and VHCI package☆11Jul 24, 2025Updated 10 months ago
- Hartree-Fock code written in full C++ standard☆29May 8, 2024Updated 2 years ago
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 4 months ago
- Mathematical & chemical routines e.g. nonlinear optimization etc. with c++ & python frontend☆11Oct 30, 2021Updated 4 years ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆102Feb 16, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Quantum dynamics package based on tensor network states☆71May 20, 2026Updated last week
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.☆24Nov 6, 2022Updated 3 years ago
- ☆15Apr 26, 2026Updated last month
- A collection of frequency scale factors from various sources.☆15Mar 15, 2023Updated 3 years ago
- 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
- Amateurish molecular electronic structure program.(for linux)☆24Nov 1, 2016Updated 9 years ago
- general GTO integrals for quantum chemistry☆245Nov 16, 2025Updated 6 months ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆10Sep 10, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Efficient parallel quantum chemistry DMRG in MPO formalism☆112May 22, 2026Updated last week
- ☆46Oct 5, 2024Updated last year
- C++ Programming Tutorial in Chemistry☆567Dec 30, 2022Updated 3 years ago
- 分子动力学模拟后处理python脚本☆25Sep 18, 2025Updated 8 months ago
- ☆11Feb 13, 2025Updated last year
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- A general purpose library to study vibrational problems using diffusion monte carlo☆17May 21, 2026Updated last week
- 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
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python module for quantum chemistry☆77Updated this week
- Python module for quantum chemistry☆1,582Updated this week
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆200Feb 5, 2026Updated 3 months ago
- ☆60Dec 5, 2024Updated last year
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years ago