《现代量子化学》汉化版
☆190Jun 22, 2026Updated 2 months ago
Alternatives and similar repositories for szaboqc
Users that are interested in szaboqc are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆104Feb 16, 2025Updated last year
- Quantum Chemistry Course @ BNU2021☆23Sep 22, 2022Updated 3 years ago
- 浙江大学王林军课题组入门指南☆85Mar 2, 2020Updated 6 years ago
- 收集了一些计算化学相关的推荐资料。☆34Dec 31, 2024Updated last year
- ☆41Feb 4, 2026Updated 6 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- TD-DMRG and VHCI package☆11Jul 24, 2025Updated last year
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆79Aug 24, 2026Updated last week
- ☆48Oct 5, 2024Updated last year
- In-Class/Active-Learning Exercises for Quantum Chemistry☆18Aug 13, 2018Updated 8 years ago
- Quantum dynamics package based on tensor network states☆75May 20, 2026Updated 3 months ago
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆29Jun 4, 2026Updated 2 months ago
- eXtended Equivairant Graph Neural Network☆17Jul 23, 2025Updated last year
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 years ago
- ☆31Aug 14, 2022Updated 4 years 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.
- A demonstration of Hartree Fock program☆14Jan 20, 2023Updated 3 years ago
- C++ Programming Tutorial in Chemistry☆581Dec 30, 2022Updated 3 years ago
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆286Updated this week
- Hartree-Fock code written in full C++ standard☆30May 8, 2024Updated 2 years ago
- ☆127Jul 7, 2026Updated last month
- Neural-Network Quantum States for Quantum Chemistry☆19Jun 11, 2026Updated 2 months ago
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 7 months ago
- Python module for quantum chemistry☆1,660Updated this week
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago
- 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.
- 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
- general GTO integrals for quantum chemistry☆250Jun 21, 2026Updated 2 months ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 9 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆69Aug 12, 2025Updated last year
- ☆20Aug 18, 2026Updated last week
- ☆15Feb 20, 2025Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆54Updated this week
- 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.
- ☆10Sep 27, 2024Updated last year
- ☆30Jul 15, 2025Updated last year
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆49Aug 12, 2026Updated 2 weeks ago
- 基于python的PLUMED的可视化界面开发☆14Jan 8, 2025Updated last year
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 5 years ago