LCPQ / qcmath
Mathematica modules for electronic structure calculations
☆24Updated last year
Related projects: ⓘ
- Crawford's Quantum Chemistry Exercises by Python approach☆28Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆23Updated this week
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆12Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- Coupled-cluster package written in Python.☆18Updated this week
- Correlation consistent Gaussian basis sets for solids☆22Updated 4 months ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago
- Hartree-Fock Python☆17Updated last year
- systematic molecular fragmentation by annihilation☆11Updated 4 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆24Updated last year
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated last month
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated this week
- QMC=Chem version 2☆19Updated 2 weeks ago
- Notes on Electronic Structure Theory (CHEM532)☆21Updated 7 months ago
- adcc: Seamlessly connect your program to ADC☆32Updated 3 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆10Updated 4 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆16Updated 2 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated 10 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆20Updated 2 months ago
- Tutorials showcasing various capabilities of Libra☆18Updated last month
- ☆30Updated 4 years ago
- Cornell-Holland Ab-initio Materials Package☆15Updated last month
- Reference implementation of GW☆13Updated 5 years ago
- An example to implement PBC SCF☆10Updated 6 years ago
- ☆22Updated this week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆18Updated 2 months ago