Solutions for Modern Quantum Chemistry, Szabo & Ostlund
☆100Feb 16, 2025Updated last year
Alternatives and similar repositories for S-O-MQC-HW
Users that are interested in S-O-MQC-HW are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 《现代量子化学》汉化版☆174Updated this week
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆86Jun 8, 2024Updated last year
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- 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
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 4 years ago
- ☆13Jul 25, 2025Updated 8 months ago
- Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.☆37Feb 3, 2026Updated last month
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆68Updated this week
- Python module for quantum chemistry☆1,548Mar 21, 2026Updated last week
- C++ Programming Tutorial in Chemistry☆561Dec 30, 2022Updated 3 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆58Jan 10, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- TD-DMRG and VHCI package☆11Jul 24, 2025Updated 8 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 4 months ago
- Combining Psi4 and Numpy for education and development.☆388Jan 8, 2024Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Mar 23, 2026Updated last week
- Automatic MR based on PySCF☆17Jan 25, 2026Updated 2 months ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- An optimized libcint branch for X86 architecture☆31Nov 17, 2025Updated 4 months ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- A research-grade quantum chemistry program written in Julia☆67Apr 7, 2021Updated 4 years ago
- ☆46Oct 5, 2024Updated last year
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Mar 12, 2026Updated 2 weeks ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 8 months ago
- MRH's research code☆26Mar 23, 2026Updated last week
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆42Feb 11, 2026Updated last month
- Quantum Chemistry Course @ BNU2021☆23Sep 22, 2022Updated 3 years ago
- Gold-Standard Chemical Database 138 (GSCDB138)☆33Mar 19, 2026Updated last week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆10Sep 27, 2024Updated last year
- general GTO integrals for quantum chemistry☆246Nov 16, 2025Updated 4 months ago
- A plugin to use Nvidia GPU in PySCF package☆290Updated this week
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆200Updated this week
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- Python interface for Q-Chem☆24Mar 14, 2026Updated 2 weeks ago