《现代量子化学》汉化版
☆181Jun 5, 2026Updated this week
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☆102Feb 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
- TD-DMRG and VHCI package☆11Jul 24, 2025Updated 10 months ago
- ☆40Feb 4, 2026Updated 4 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.
- 收集了一些计算化学相关的推荐资料。☆34Dec 31, 2024Updated last year
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- Quantum dynamics package based on tensor network states☆72May 20, 2026Updated 2 weeks ago
- ☆30Aug 14, 2022Updated 3 years ago
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 years ago
- A demonstration of Hartree Fock program☆14Jan 20, 2023Updated 3 years ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆71Updated this week
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆28Updated this week
- eXtended Equivairant Graph Neural Network☆16Jul 23, 2025Updated 10 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.
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆264Jun 3, 2026Updated last week
- Hartree-Fock code written in full C++ standard☆29May 8, 2024Updated 2 years ago
- C++ Programming Tutorial in Chemistry☆568Dec 30, 2022Updated 3 years ago
- ☆19May 13, 2026Updated 3 weeks ago
- ☆125Jun 9, 2025Updated last year
- Python module for quantum chemistry☆1,587Updated this week
- ☆46Oct 5, 2024Updated last year
- 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☆245Nov 16, 2025Updated 6 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 4 months ago
- ☆10Sep 27, 2024Updated last year
- ☆30Jul 15, 2025Updated 10 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆22Jan 10, 2023Updated 3 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆25Nov 7, 2025Updated 7 months ago
- ☆10Oct 30, 2023Updated 2 years ago
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- 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.
- 基于python的PLUMED的可视化界面开发☆13Jan 8, 2025Updated last year
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆68Aug 12, 2025Updated 9 months ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 4 years ago
- JIT-compiled GPU kernels for quantum chemistry☆34Jan 30, 2026Updated 4 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
- ☆21Nov 29, 2021Updated 4 years ago
- Main repository for the CP-PAW code☆12Jun 1, 2026Updated last week