jparkhill / RealtimePySCF
Realtime Extensions to PySCF (TDDFT etc.)
☆11Updated 7 years ago
Related projects ⓘ
Alternatives and complementary repositories for RealtimePySCF
- ☆9Updated last week
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- A variational 2-RDM-driven CASSCF plugin to Psi4☆10Updated 3 years ago
- Pythonic electronic structure theory.☆12Updated this week
- Coupled-cluster package written in Python.☆27Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- QMC=Chem version 2☆19Updated 2 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- A Python package for wave function-based quantum embedding☆33Updated 3 weeks ago
- MRH's research code☆19Updated this week
- An example to implement PBC SCF☆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
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- A library of density matrix embedding theory (DMET).☆30Updated last week
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆13Updated last year
- ☆44Updated 2 months ago
- Set of tools for trexio files☆19Updated last week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 3 weeks ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- Quantum Chemistry Course @ BNU2021☆21Updated 2 years ago
- adcc: Seamlessly connect your program to ADC☆32Updated this week
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- Library for local orbital scaling correction (LOSC).☆15Updated 4 months ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- Hartree-Fock Python☆17Updated last year