jparkhill / RealtimePySCF
Realtime Extensions to PySCF (TDDFT etc.)
☆11Updated 7 years ago
Related projects: ⓘ
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- 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
- A variational 2-RDM-driven CASSCF plugin to Psi4☆10Updated 3 years ago
- QMC=Chem version 2☆19Updated 2 weeks ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 4 months ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆10Updated 4 years ago
- A Python package for wave function-based quantum embedding☆32Updated last week
- An example to implement PBC SCF☆10Updated 6 years ago
- Coupled-cluster package written in Python.☆18Updated this week
- Hartree-Fock Python☆17Updated last year
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆23Updated this week
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago
- Mathematica modules for electronic structure calculations☆24Updated last year
- A library of density matrix embedding theory (DMET).☆28Updated 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
- Automatic equation of motion coupled cluster generator☆15Updated last year
- MRH's research code☆18Updated this week
- Crawford's Quantum Chemistry Exercises by Python approach☆28Updated 2 years ago
- Quantum Chemistry Course @ BNU2021☆21Updated last year
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆12Updated last year
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆32Updated last year
- Cornell-Holland Ab-initio Materials Package☆15Updated last month
- ☆42Updated 3 weeks ago
- adcc: Seamlessly connect your program to ADC☆32Updated 3 weeks ago
- systematic molecular fragmentation by annihilation☆11Updated 4 years ago
- Library for local orbital scaling correction (LOSC).☆14Updated 2 months ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 2 months ago